DIB008065
 Wcorina  11010620263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 32 33  0     1  0  0  0  0  0999 V2000
   -0.0174    1.4332    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8301    4.1958    0.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    0.7334   -2.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1873   -1.8384   -2.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397   -0.5136   -0.7615 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4776    0.7836   -0.6986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902   -0.5297   -2.7413 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1227    0.0981   -1.3128 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7679   -0.5874   -1.9270 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.0444    0.8904   -0.9828 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3184   -0.4407   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    1.8735   -0.0008 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4593    3.3100   -0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9866   -1.4230   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489   -0.0787   -2.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0391   -1.8921   -0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2446   -1.4303   -2.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9823   -2.8944   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    1.1914   -2.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.3809    1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1139   -0.9891   -1.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   -1.0477    0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    1.7905    0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622    3.3843   -1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    3.5835   -0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137   -1.7641    0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265   -0.2058   -3.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    5.1257    0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7916   -2.3687    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962   -3.5305   -1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414   -3.5088    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
 11  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
 10  6  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
35370

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAYCAAADDzhgAYDAAPABgCKAgFWUACAAAAAAAAAAAEIAECDEAIAwQAPQAAOByIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,4S,5S)-4-azido-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HBOMLICNUCNMMY-XLPZGREQSA-N

> <PUBCHEM_XLOGP3>
0

> <PUBCHEM_EXACT_MASS>
267.096754

> <PUBCHEM_MOLECULAR_FORMULA>
C10H13N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
267.24132

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

> <PUBCHEM_CACTVS_TPSA>
93.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.096754

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  6
15  17  8
17  18  8
11  5  6
5  15  8
5  16  8
10  6  5
7  16  8
7  18  8

$$$$