71166195
  -OEChem-05102419122D

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    6.3981   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3560   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
71166195

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
542

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADAzBngYz9vfIFACgAyZjZACCiCkhIqAJmKA+7JiNLqLE+duENCpu0BvK6Cew0BMOIEABQgACQABAgAKEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[4-(dipropylamino)-6,7-dimethoxy-quinazolin-2-yl]-N-(m-tolyl)formamidine

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[4-(dipropylamino)-6,7-dimethoxy-2-quinazolinyl]-N-(3-methylphenyl)methanimidamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-[4-(dipropylamino)-6,7-dimethoxyquinazolin-2-yl]-<I>N</I>-(3-methylphenyl)methanimidamide

> <PUBCHEM_IUPAC_NAME>
N'-[4-(dipropylamino)-6,7-dimethoxyquinazolin-2-yl]-N-(3-methylphenyl)methanimidamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[4-(dipropylamino)-6,7-dimethoxy-quinazolin-2-yl]-N-(3-methylphenyl)methanimidamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[4-(dipropylamino)-6,7-dimethoxy-quinazolin-2-yl]-N-(m-tolyl)formamidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H31N5O2/c1-6-11-29(12-7-2)23-19-14-21(30-4)22(31-5)15-20(19)27-24(28-23)26-16-25-18-10-8-9-17(3)13-18/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,25,26,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
TZPWEGLTEURWKW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
421.24777525

> <PUBCHEM_MOLECULAR_FORMULA>
C24H31N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
421.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)N=CNC3=CC=CC(=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)N=CNC3=CC=CC(=C3)C

> <PUBCHEM_CACTVS_TPSA>
71.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
421.24777525

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
13  14  8
13  15  8
14  18  8
15  19  8
18  20  8
19  20  8
25  26  8
25  28  8
26  27  8
27  29  8
28  30  8
29  30  8
4  10  8
4  21  8
5  14  8
5  21  8
6  23  1

$$$$