3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methyl-piperidin-4-yl]-1-ethyl-6-nitro-quinazoline-2,4-dione

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methyl-piperidin-4-yl]-1-ethyl-6-nitro-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methyl-4-piperidyl]-1-ethyl-6-nitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-3-methyl-4-piperidinyl]-1-ethyl-6-nitroquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methylpiperidin-4-yl]-1-ethyl-6-nitroquinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methyl-4-piperidyl]-1-ethyl-6-nitro-quinazoline-2,4-quinone Formula: C26H28N6O6 MolecularWeight: 520.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3C)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3C)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C26H28N6O6/c1-5-30-21-7-6-16(32(35)36)10-18(21)25(33)31(26(30)34)20-8-9-29(13-15(20)2)24-17-11-22(37-3)23(38-4)12-19(17)27-14-28-24/h6-7,10-12,14-15,20H,5,8-9,13H2,1-4H3