2-[4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]butyl]isoindoline-1,3-quinone Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CCCCN4C(=O)C5=CC=CC=C5C4=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CCCCN4C(=O)C5=CC=CC=C5C4=O)N)OC

InChI

InChI=1S/C26H30N6O4/c1-35-21-15-19-20(16-22(21)36-2)28-26(29-23(19)27)31-13-11-30(12-14-31)9-5-6-10-32-24(33)17-7-3-4-8-18(17)25(32)34/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H2,27,28,29)