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

Systemtic Name: 1-(cyclopropylmethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-quinazoline-2,4-dione Openeye Name: 1-(cyclopropylmethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-dione CAS Name: 1-(cyclopropylmethyl)-3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitroquinazoline-2,4-dione IUPAC Name: 1-(cyclopropylmethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitroquinazoline-2,4-dione Traditional Name: 1-(cyclopropylmethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-quinone Formula: C27H28N6O6 MolecularWeight: 532.54782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)CC6CC6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)CC6CC6)OC

InChI

InChI=1S/C27H28N6O6/c1-38-23-12-19-21(13-24(23)39-2)28-15-29-25(19)30-9-7-17(8-10-30)32-26(34)20-11-18(33(36)37)5-6-22(20)31(27(32)35)14-16-3-4-16/h5-6,11-13,15-17H,3-4,7-10,14H2,1-2H3