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

Systemtic Name: 2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-1,4-naphthoquinone Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC(=O)C5=CC=CC=C5C4=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC(=O)C5=CC=CC=C5C4=O)N)OC

InChI

InChI=1S/C24H23N5O4/c1-32-20-11-16-17(12-21(20)33-2)26-24(27-23(16)25)29-9-7-28(8-10-29)18-13-19(30)14-5-3-4-6-15(14)22(18)31/h3-6,11-13H,7-10H2,1-2H3,(H2,25,26,27)