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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=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

CC(C)CN1C2=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/c1-16(2)14-31-22-6-5-18(33(36)37)11-20(22)26(34)32(27(31)35)17-7-9-30(10-8-17)25-19-12-23(38-3)24(39-4)13-21(19)28-15-29-25/h5-6,11-13,15-17H,7-10,14H2,1-4H3