5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione sulfate

Systemtic Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione sulfate Openeye Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione sulfate CAS Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione sulfate IUPAC Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione sulfate Traditional Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-quinone sulfate Formula: C23H24N4O8S-2 MolecularWeight: 516.52366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCCCN3C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)NC3=O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCCN3C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)NC3=O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C23H24N4O4.H2O4S/c28-22-21-19(9-6-10-20(21)27(30)31)26(23(29)24-22)14-5-4-13-25-15-11-18(12-16-25)17-7-2-1-3-8-17;1-5(2,3)4/h1-3,6-11H,4-5,12-16H2,(H,24,28,29);(H2,1,2,3,4)/p-2