4a-chloranyl-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione

Systemtic Name: 4a-chloranyl-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 4a-chloro-3,10-dimethyl-5-[methylsulfanyl(p-tolylsulfonyl)methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 4a-chloro-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 4a-chloro-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 4a-chloro-3,10-dimethyl-5-[(methylthio)-tosyl-methyl]-5H-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=NC(=O)N(C(=O)C24Cl)C)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=NC(=O)N(C(=O)C24Cl)C)C)SC

InChI

InChI=1S/C22H22ClN3O4S2/c1-13-9-11-14(12-10-13)32(29,30)18(31-4)17-15-7-5-6-8-16(15)25(2)19-22(17,23)20(27)26(3)21(28)24-19/h5-12,17-18H,1-4H3