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

Systemtic Name: 10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 10-ethyl-3-methyl-5-[methylsulfanyl(p-tolylsulfonyl)methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione CAS Name: 10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 10-ethyl-3-methyl-5-[(methylthio)-tosyl-methyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-quinone Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(C3=C1NC(=O)N(C3=O)C)C(SC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(C3=C1NC(=O)N(C3=O)C)C(SC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H25N3O4S2/c1-5-26-17-9-7-6-8-16(17)18(19-20(26)24-23(28)25(3)21(19)27)22(31-4)32(29,30)15-12-10-14(2)11-13-15/h6-13,18,22H,5H2,1-4H3,(H,24,28)