6621435
  -OEChem-04262414182D

 30 33  0     0  0  0  0  0  0999 V2000
    7.3958   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -1.0894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    0.5201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3798    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1719    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2778    2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1799    1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -1.6787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8393    2.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2754    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    2.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6621435

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
618

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAQAAAAAwQIAAAAAAAECBAAAAHgAYAAAADAiBGAAxAIJiAACoAyJidACCAAEgAAAeqAAwBJiIIKKAkRGAIABggQAIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-phenyl-3<I>H</I>-[1,2,4]triazolo[1,5-c]quinazolin-5-one

> <PUBCHEM_IUPAC_NAME>
2-phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-phenyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
RIKJUPVERVIOAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
262.08546096

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
262.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=NC(=O)N3N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NC3=C4C=CC=CC4=NC(=O)N3N2

> <PUBCHEM_CACTVS_TPSA>
57.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.08546096

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
10  15  8
10  16  8
12  14  8
13  17  8
14  17  8
15  18  8
16  19  8
18  20  8
19  20  8
2  11  8
2  3  8
2  6  8
3  8  8
4  6  8
4  8  8
5  11  8
5  9  8
6  7  8
7  12  8
7  9  8
9  13  8

$$$$