3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione

Systemtic Name: 3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 3,10-dimethyl-5-[methylsulfanyl(p-tolylsulfonyl)methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione CAS Name: 3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 3,10-dimethyl-5-[(methylthio)-tosyl-methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-quinone Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=C2C(=O)N(C(=O)N4)C)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=C2C(=O)N(C(=O)N4)C)C)SC

InChI

InChI=1S/C22H23N3O4S2/c1-13-9-11-14(12-10-13)31(28,29)21(30-4)17-15-7-5-6-8-16(15)24(2)19-18(17)20(26)25(3)22(27)23-19/h5-12,17,21H,1-4H3,(H,23,27)