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

Systemtic Name: 3-[1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione Openeye Name: 3-[1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-4-piperidyl]-6-nitro-1H-quinazoline-2,4-dione CAS Name: 3-[1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitro-1H-quinazoline-2,4-dione IUPAC Name: 3-[1-(2-chloro-6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione Traditional Name: 3-[1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-4-piperidyl]-6-nitro-1H-quinazoline-2,4-quinone Formula: C25H25ClN6O6 MolecularWeight: 540.9556

Click to see the large picture

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-])NC4=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)OCC

InChI

InChI=1S/C25H25ClN6O6/c1-3-37-20-12-16-19(13-21(20)38-4-2)27-24(26)29-22(16)30-9-7-14(8-10-30)31-23(33)17-11-15(32(35)36)5-6-18(17)28-25(31)34/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,28,34)