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

Systemtic Name: 4a-chloranyl-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 4a-chloro-10-ethyl-3-methyl-5-[methylsulfanyl(p-tolylsulfonyl)methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 4a-chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 4a-chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 4a-chloro-10-ethyl-3-methyl-5-[(methylthio)-tosyl-methyl]-5H-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C23H24ClN3O4S2 MolecularWeight: 506.03736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(C3(C1=NC(=O)N(C3=O)C)Cl)C(SC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(C3(C1=NC(=O)N(C3=O)C)Cl)C(SC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H24ClN3O4S2/c1-5-27-17-9-7-6-8-16(17)18(23(24)20(27)25-22(29)26(3)21(23)28)19(32-4)33(30,31)15-12-10-14(2)11-13-15/h6-13,18-19H,5H2,1-4H3