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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-(2-dimethylaminoethyl)-6-nitro-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-1-(2-dimethylaminoethyl)-6-nitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-1-(2-dimethylaminoethyl)-6-nitroquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-(2-dimethylaminoethyl)-6-nitroquinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-1-(2-dimethylaminoethyl)-6-nitro-quinazoline-2,4-quinone Formula: C27H31N7O6 MolecularWeight: 549.57834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=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

CN(C)CCN1C2=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/C27H31N7O6/c1-30(2)11-12-32-22-6-5-18(34(37)38)13-20(22)26(35)33(27(32)36)17-7-9-31(10-8-17)25-19-14-23(39-3)24(40-4)15-21(19)28-16-29-25/h5-6,13-17H,7-12H2,1-4H3