1-[6,7-dimethoxy-2-[(phenylmethyl)amino]quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-[6,7-dimethoxy-2-[(phenylmethyl)amino]quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-[2-(benzylamino)-6,7-dimethoxy-quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-dimethoxy-2-[(phenylmethyl)amino]-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-[2-(benzylamino)-6,7-dimethoxyquinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-[2-(benzylamino)-6,7-dimethoxy-quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C32H35N6O4+ MolecularWeight: 567.6581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC(=NC5=CC(=C(C=C54)OC)OC)NCC6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=NC(=NC5=CC(=C(C=C54)OC)OC)NCC6=CC=CC=C6

InChI

InChI=1S/C32H35N6O4/c1-20-10-11-26-24(16-20)30(39)37(22-12-14-33-15-13-22)32(40)38(26,2)29-23-17-27(41-3)28(42-4)18-25(23)35-31(36-29)34-19-21-8-6-5-7-9-21/h5-11,16-18,22,33H,12-15,19H2,1-4H3,(H,34,35,36)/q+1