8672
  -OEChem-04262401582D

 35 36  0     0  0  0  0  0  0999 V2000
    3.5682    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    5.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    5.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984    5.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    3.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    3.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    4.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    4.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    3.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    3.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    3.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    5.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    5.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    4.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    4.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984    3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    2.5867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    2.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    2.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    5.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    5.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2261    3.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    2.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    2.6468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863    2.6468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1341    2.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9104    3.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    5.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    5.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1365    4.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3 16  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 17  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8672

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgAywPJIEACgAyRiRACCgCAhAiAAmCAwZJgIIOLA0dGEJAhgkADIyAcQgMAOCAACAAQCAAAQAAQACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,7-dimethylacridine-3,6-diamine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2,7-dimethylacridine-3,6-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,7-dimethylacridine-3,6-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2,7-dimethylacridine-3,6-diamine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,7-dimethylacridine-3,6-diamine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-amino-2,7-dimethyl-acridin-3-yl)amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
BGLGAKMTYHWWKW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
273.1032752

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
273.76

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl

> <PUBCHEM_CACTVS_TPSA>
64.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.1032752

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  16  8
13  17  8
14  16  8
15  17  8
2  7  8
2  8  8
5  10  8
5  7  8
5  9  8
6  11  8
6  8  8
6  9  8
7  14  8
8  15  8

$$$$