68779503
  -OEChem-05201315522D

 78 82  0     0  0  0  0  0  0999 V2000
    8.0622   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -3.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -1.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
68779503

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
722

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx9AAAHgAQAAAADCzhngYz9vfIFACgAyZiZACCiCkhIqAJmKA+7JiPLqLE+duHPCru0Bva6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-piperidyl]-6,7-dimethoxy-4-morpholino-quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidinyl]-6,7-dimethoxy-4-(4-morpholinyl)-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME>
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-4-morpholin-4-yl-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6,7-dimethoxy-4-morpholino-quinazolin-2-yl)-[1-(3-ethoxy-4-methoxy-benzyl)-4-piperidyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H39N5O5/c1-5-39-27-16-20(6-7-24(27)35-2)19-33-10-8-21(9-11-33)30-29-31-23-18-26(37-4)25(36-3)17-22(23)28(32-29)34-12-14-38-15-13-34/h6-7,16-18,21H,5,8-15,19H2,1-4H3,(H,30,31,32)

> <PUBCHEM_IUPAC_INCHIKEY>
GIVPMXPRAYFJNX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
537.295119

> <PUBCHEM_MOLECULAR_FORMULA>
C29H39N5O5

> <PUBCHEM_MOLECULAR_WEIGHT>
537.65046

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=CC(=C(C=C4C(=N3)N5CCOCC5)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=CC(=C(C=C4C(=N3)N5CCOCC5)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
90.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
537.295119

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
10  25  8
17  20  8
17  21  8
19  22  8
20  28  8
21  29  8
22  25  8
22  30  8
25  32  8
28  31  8
29  31  8
30  33  8
32  34  8
33  34  8
9  18  8
9  19  8

$$$$