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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-6-nitro-1H-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-piperidyl]-6-nitro-1H-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-3-piperidinyl]-6-nitro-1H-quinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-6-nitro-1H-quinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-piperidyl]-6-nitro-1H-quinazoline-2,4-quinone Formula: C23H22N6O6 MolecularWeight: 478.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCC(C3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCC(C3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)OC

InChI

InChI=1S/C23H22N6O6/c1-34-19-9-15-18(10-20(19)35-2)24-12-25-21(15)27-7-3-4-14(11-27)28-22(30)16-8-13(29(32)33)5-6-17(16)26-23(28)31/h5-6,8-10,12,14H,3-4,7,11H2,1-2H3,(H,26,31)