4-[7-[6-(dimethylamino)-2,4-bis(oxidanyl)-6-oxidanylidene-hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[7-[6-(dimethylamino)-2,4-bis(oxidanyl)-6-oxidanylidene-hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[7-[6-(dimethylamino)-2,4-dihydroxy-6-oxo-hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-isopropoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[7-[6-(dimethylamino)-2,4-dihydroxy-6-oxohexoxy]-6-methoxy-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-[6-(dimethylamino)-2,4-dihydroxy-6-oxohexoxy]-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[7-[6-(dimethylamino)-2,4-dihydroxy-6-keto-hexoxy]-6-methoxy-quinazolin-4-yl]-N-(4-isopropoxyphenyl)piperazine-1-carboxamide Formula: C31H42N6O7 MolecularWeight: 610.70118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCC(CC(CC(=O)N(C)C)O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCC(CC(CC(=O)N(C)C)O)O

InChI

InChI=1S/C31H42N6O7/c1-20(2)44-24-8-6-21(7-9-24)34-31(41)37-12-10-36(11-13-37)30-25-16-27(42-5)28(17-26(25)32-19-33-30)43-18-23(39)14-22(38)15-29(40)35(3)4/h6-9,16-17,19-20,22-23,38-39H,10-15,18H2,1-5H3,(H,34,41)