3-[1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)piperidin-4-yl]-1-methyl-6-nitro-quinazoline-2,4-dione

Systemtic Name: 3-[1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)piperidin-4-yl]-1-methyl-6-nitro-quinazoline-2,4-dione Openeye Name: 3-[1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-4-piperidyl]-1-methyl-6-nitro-quinazoline-2,4-dione CAS Name: 3-[1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-4-piperidinyl]-1-methyl-6-nitroquinazoline-2,4-dione IUPAC Name: 3-[1-(2-chloro-6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]-1-methyl-6-nitroquinazoline-2,4-dione Traditional Name: 3-[1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-4-piperidyl]-1-methyl-6-nitro-quinazoline-2,4-quinone Formula: C26H27ClN6O6 MolecularWeight: 554.98218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)C)OCC

InChI

InChI=1S/C26H27ClN6O6/c1-4-38-21-13-17-19(14-22(21)39-5-2)28-25(27)29-23(17)31-10-8-15(9-11-31)32-24(34)18-12-16(33(36)37)6-7-20(18)30(3)26(32)35/h6-7,12-15H,4-5,8-11H2,1-3H3