68023379
  -OEChem-05142405382D

 31 32  0     1  0  0  0  0  0999 V2000
    3.8611    1.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    2.9767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -0.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.8712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.8712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.1677    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1701    2.1677    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4791    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.6288    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5823    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577    2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    0.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0455    1.4688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2225    0.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    3.2485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114    3.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3745    2.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    4.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    4.1828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    3.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -3.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332   -3.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  2  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  2  0  0  0  0
  7 15  2  0  0  0  0
  7 17  1  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68023379

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
370

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACBThgAYDAANABgAoAAABNAAAAAEAAAABAAAIAACBEAIAiAAOQAAHBgIDAACwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-1-[4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-[4-hydroxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-s-triazin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14N4O4/c1-16-3-6-5(14)2-7(17-6)13-4-11-8(10)12-9(13)15/h4-7,14H,2-3H2,1H3,(H2,10,12,15)

> <PUBCHEM_IUPAC_INCHIKEY>
SYPICOXUTAYNIG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.6

> <PUBCHEM_EXACT_MASS>
242.10150494

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
242.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCC1C(CC(O1)N2C=NC(=NC2=O)N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCC1C(CC(O1)N2C=NC(=NC2=O)N)O

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
242.10150494

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
10  13  3
9  2  3
12  5  3
5  14  8
5  15  8
6  14  8
6  17  8
7  15  8
7  17  8

$$$$