134019
  -OEChem-05132416202D

 43 45  0     0  0  0  0  0  0999 V2000
    4.6660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144   -2.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232   -4.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    4.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   -2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631   -3.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631    3.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740   -2.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740    2.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839   -2.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4934   -1.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4934    1.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839    2.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538   -3.4298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0443   -4.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0443    4.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538    3.4298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161   -4.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6637   -3.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    4.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6637    3.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  3 27  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 28  1  0  0  0  0
  5 21  2  0  0  0  0
  5 24  1  0  0  0  0
  6 22  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 23  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 23  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 24  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
134019

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAADxwAAAHgAQAAAADAzBmgQ8wJLIEACoArR3RACCgCA1AiAI2KE4ZNgIYHrAlJGUIYhgkADIyccdicCOgACAQAASAACAAQSAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione

> <PUBCHEM_IUPAC_CAS_NAME>
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione

> <PUBCHEM_IUPAC_NAME>
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,9-bis(2-azanylethylamino)benzo[g]isoquinoline-5,10-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,9-bis(2-aminoethylamino)benz[g]isoquinoline-5,10-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2

> <PUBCHEM_IUPAC_INCHIKEY>
PEZPMAYDXJQYRV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
325.15387487

> <PUBCHEM_MOLECULAR_FORMULA>
C17H19N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
325.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
325.15387487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  16  8
11  17  8
14  15  8
14  20  8
15  21  8
16  17  8
20  24  8
5  21  8
5  24  8
8  10  8
8  9  8
9  11  8

$$$$