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

Systemtic Name: 1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-quinazoline-2,4-dione Openeye Name: 1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-dione CAS Name: 1-butyl-3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitroquinazoline-2,4-dione IUPAC Name: 1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitroquinazoline-2,4-dione Traditional Name: 1-butyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-quinone Formula: C27H30N6O6 MolecularWeight: 534.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C27H30N6O6/c1-4-5-10-31-22-7-6-18(33(36)37)13-20(22)26(34)32(27(31)35)17-8-11-30(12-9-17)25-19-14-23(38-2)24(39-3)15-21(19)28-16-29-25/h6-7,13-17H,4-5,8-12H2,1-3H3