2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3S/c29-23-20-14-17-6-4-5-9-21(17)25-22(20)26-24(27(23)18-7-2-1-3-8-18)32-15-16-10-12-19(13-11-16)28(30)31/h1-3,7-8,10-14H,4-6,9,15H2