1-[6,7-diethoxy-2-(propan-2-ylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-[6,7-diethoxy-2-(propan-2-ylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-[6,7-diethoxy-2-(isopropylamino)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-[6,7-diethoxy-2-(propan-2-ylamino)-4-quinazolinyl]-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-[6,7-diethoxy-2-(propan-2-ylamino)quinazolin-4-yl]-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-[6,7-diethoxy-2-(isopropylamino)quinazolin-4-yl]-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C30H39N6O4+ MolecularWeight: 547.66846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC(C)C)[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC(C)C)[N+]3(C4=C(C=C(C=C4)C)C(=O)N(C3=O)C5CCNCC5)C)OCC

InChI

InChI=1S/C30H39N6O4/c1-7-39-25-16-21-23(17-26(25)40-8-2)33-29(32-18(3)4)34-27(21)36(6)24-10-9-19(5)15-22(24)28(37)35(30(36)38)20-11-13-31-14-12-20/h9-10,15-18,20,31H,7-8,11-14H2,1-6H3,(H,32,33,34)/q+1