70556328
  -OEChem-04262418182D

 39 40  0     0  0  0  0  0  0999 V2000
    1.4061    3.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682    1.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    1.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    7.7935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    6.2935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    3.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    1.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5343    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    3.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    7.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    8.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    6.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    6.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    4.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3392    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    4.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    0.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7344    1.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0712    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2243    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0482    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    3.6856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461    2.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    8.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    8.9135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    6.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    6.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 19  2  0  0  0  0
  4 21  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70556328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
240

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/AAAHgAAAAAADAzBngY/9vcIFACgAzZnZACCiCkxIqAJ2CA+bJiMLuLE+duENChswBPI6CewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methoxy-N,N-dimethyl-quinolin-2-amine;pyrimidine

> <PUBCHEM_IUPAC_CAS_NAME>
6-methoxy-N,N-dimethyl-2-quinolinamine;pyrimidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methoxy-<I>N</I>,<I>N</I>-dimethylquinolin-2-amine;pyrimidine

> <PUBCHEM_IUPAC_NAME>
6-methoxy-N,N-dimethylquinolin-2-amine;pyrimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-N,N-dimethyl-quinolin-2-amine;pyrimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-methoxy-2-quinolyl)-dimethyl-amine;pyrimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N2O.C4H4N2/c1-14(2)12-7-4-9-8-10(15-3)5-6-11(9)13-12;1-2-5-4-6-3-1/h4-8H,1-3H3;1-4H

> <PUBCHEM_IUPAC_INCHIKEY>
SFYVXMJCBMVYHV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
282.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
282.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=NC2=C(C=C1)C=C(C=C2)OC.C1=CN=CN=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=NC2=C(C=C1)C=C(C=C2)OC.C1=CN=CN=C1

> <PUBCHEM_CACTVS_TPSA>
51.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.14806121

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
13  14  8
18  19  8
18  20  8
3  7  8
3  8  8
4  19  8
4  21  8
5  20  8
5  21  8
6  11  8
6  7  8
6  9  8
7  12  8
8  10  8
9  10  8

$$$$