55999
  -OEChem-06191313592D

 46 48  0     0  0  0  0  0  0999 V2000
    9.0564    0.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448    3.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.9981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.9739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.9739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7846    1.5294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6487    2.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -2.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -3.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -3.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -3.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7884    0.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9166    2.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -0.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -3.6527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -3.6527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -2.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -1.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6161   -3.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4639   -3.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2403   -2.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0027   -0.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3986    0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.7785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -2.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    0.0237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    0.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    0.0285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2246    2.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3785    2.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6087    1.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  3 13  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55999

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHgAcAAAADAjBngQywLPIEACpAyVyVACCgCQhEiAYmCC4dJgIYOLA0fGUJAhglADIyAcQgAAOCACAQAQCACAQAQCACAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[8-(dimethylamino)-3-methyl-phenazin-2-yl]-2-[methyl(nitroso)amino]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[8-(dimethylamino)-3-methyl-2-phenazinyl]-2-[methyl(nitroso)amino]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[8-(dimethylamino)-3-methylphenazin-2-yl]-2-[methyl(nitroso)amino]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[8-(dimethylamino)-3-methyl-phenazin-2-yl]-2-[methyl(nitroso)amino]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[8-(dimethylamino)-3-methyl-phenazin-2-yl]-2-[methyl(nitroso)amino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20N6O2/c1-11-7-15-17(9-14(11)21-18(25)10-24(4)22-26)20-16-8-12(23(2)3)5-6-13(16)19-15/h5-9H,10H2,1-4H3,(H,21,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ARRYNCGMZQCJJX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
352.164774

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
352.3904

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1NC(=O)CN(C)N=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1NC(=O)CN(C)N=O

> <PUBCHEM_CACTVS_TPSA>
90.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.164774

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
11  12  8
11  15  8
12  16  8
13  14  8
13  18  8
14  19  8
17  18  8
17  20  8
19  20  8
3  13  8
3  9  8
4  10  8
4  14  8
9  10  8
9  15  8

$$$$