4-azanyl-5-(3-methoxy-4-oxidanyl-phenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

Systemtic Name: 4-azanyl-5-(3-methoxy-4-oxidanyl-phenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-5-(4-hydroxy-3-methoxy-phenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-2-(methylthio)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-5-(4-hydroxy-3-methoxy-phenyl)-8,8-dimethyl-2-(methylthio)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)N=C(N=C3N)SC)C4=CC(=C(C=C4)O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)N=C(N=C3N)SC)C4=CC(=C(C=C4)O)OC)C(=O)C1)C

InChI

InChI=1S/C21H24N4O3S/c1-21(2)8-11-16(13(27)9-21)15(10-5-6-12(26)14(7-10)28-3)17-18(22)24-20(29-4)25-19(17)23-11/h5-7,15,26H,8-9H2,1-4H3,(H3,22,23,24,25)