68377768
  -OEChem-05102419292D

 27 28  0     1  0  0  0  0  0999 V2000
    2.9230    0.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    3.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5411    0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6443    2.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    0.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    1.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    1.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    2.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    2.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    2.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  2  0  0  0  0
  8  4  1  1  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 15  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  6  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68377768

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
328

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACBThgAYBAANABgAoAAABNAAAAAEAAAABAAAIAACBEAIAiAAOQAAEBgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[(2S,5S)-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-1-[(2<I>S</I>,5<I>S</I>)-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_NAME>
4-amino-1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-[(2S,5S)-5-methyloltetrahydrofuran-2-yl]-s-triazin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N4O3/c9-7-10-4-12(8(14)11-7)6-2-1-5(3-13)15-6/h4-6,13H,1-3H2,(H2,9,11,14)/t5-,6-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OSVRWASALYRZNO-WDSKDSINSA-N

> <PUBCHEM_XLOGP3>
-0.8

> <PUBCHEM_EXACT_MASS>
212.09094026

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
212.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(OC1CO)N2C=NC(=NC2=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@H](O[C@@H]1CO)N2C=NC(=NC2=O)N

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.09094026

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  6
4  13  8
4  14  8
8  4  5
5  13  8
5  15  8
6  14  8
6  15  8

$$$$