2354
  -OEChem-04252423172D

 36 37  0     0  0  0  0  0  0999 V2000
    7.7331   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  4 20  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 21  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 20  2  0  0  0  0
  6 35  1  0  0  0  0
  7 21  2  0  0  0  0
  7 36  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2354

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAYAAAADAiBGAAxwIBiAACiAiZiYACCBACgAgAYiAAgZJgIIKKAkZGAIABgkAAIyAcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-(4-carbamimidoylphenyl)iminohydrazino]benzamidine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

> <PUBCHEM_IUPAC_NAME>
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[N'-(4-amidinophenyl)iminohydrazino]benzamidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
XNYZHCFCZNMTFY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
281.13889351

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N7

> <PUBCHEM_MOLECULAR_WEIGHT>
281.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.13889351

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  12  8
11  13  8
14  16  8
14  17  8
15  18  8
15  19  8
16  18  8
17  19  8
8  10  8
8  11  8
9  12  8
9  13  8

$$$$