70292085
  -OEChem-05062422462D

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    7.3342    3.2212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -5.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70292085

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
486

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAAAAAADAzBngY39vcIFACgAyZjZACCiCkxIqAJ2CA+7JiNLqLE+duENCpuwBvK6Cew0JMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-N-decyl-6,7-dimethoxy-quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-decyl-6,7-dimethoxy-N-(phenylmethyl)-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-<I>N</I>-decyl-6,7-dimethoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
N-benzyl-N-decyl-6,7-dimethoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-decyl-6,7-dimethoxy-N-(phenylmethyl)quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzyl-decyl-(6,7-dimethoxyquinazolin-4-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H37N3O2/c1-4-5-6-7-8-9-10-14-17-30(20-22-15-12-11-13-16-22)27-23-18-25(31-2)26(32-3)19-24(23)28-21-29-27/h11-13,15-16,18-19,21H,4-10,14,17,20H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
SBQJZRDFHKEMMI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.9

> <PUBCHEM_EXACT_MASS>
435.28857743

> <PUBCHEM_MOLECULAR_FORMULA>
C27H37N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
435.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCN(CC1=CC=CC=C1)C2=NC=NC3=CC(=C(C=C32)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCN(CC1=CC=CC=C1)C2=NC=NC3=CC(=C(C=C32)OC)OC

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
435.28857743

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
15  17  8
17  20  8
17  21  8
18  22  8
18  23  8
20  24  8
21  25  8
22  28  8
23  29  8
24  27  8
25  27  8
28  30  8
29  30  8
4  15  8
4  26  8
5  20  8
5  26  8

$$$$