5717583
  -OEChem-04232422162D

 23 24  0     0  0  0  0  0  0999 V2000
    2.8660   -3.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    2.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.2594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    2.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210    1.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6 14  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5717583

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
329

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAWAAAAAgAAAAAAAAAAABgAAAHgAYAAAADATBgAQBEARiAACqAqBWYAAQAAIgAAAMKIAAAEgIAAAAAQAAAAAQAAAIgYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[(5-aminotetrazol-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[(5-amino-1-tetrazolyl)amino]methylidene]-1-cyclohexa-2,5-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[(5-aminotetrazol-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_NAME>
4-[[(5-aminotetrazol-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[(5-aminotetrazol-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-1-3-7(15)4-2-6/h1-5,10H,(H2,9,11,13)

> <PUBCHEM_IUPAC_INCHIKEY>
CYSAAACVCGHOQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
204.07595890

> <PUBCHEM_MOLECULAR_FORMULA>
C8H8N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
204.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=O)C=CC1=CNN2C(=NN=N2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=O)C=CC1=CNN2C(=NN=N2)N

> <PUBCHEM_CACTVS_TPSA>
98.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.07595890

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
3  14  8
3  4  8
4  7  8
5  14  8
5  7  8

$$$$