(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC)C

InChI

InChI=1S/C18H21ClN4O3S2/c1-12-4-5-15(13(2)10-12)28(25,26)23-8-6-22(7-9-23)17(24)16-14(19)11-20-18(21-16)27-3/h4-5,10-11H,6-9H2,1-3H3