(2-chloranyl-4-methylsulfonyl-phenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-4-methylsulfonyl-phenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-4-methylsulfonyl-phenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone CAS Name: (2-chloro-4-methylsulfonylphenyl)-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-methylsulfonylphenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: (2-chloro-4-mesyl-phenyl)-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]methanone Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C18H21ClN4O3S/c1-12-10-13(2)21-18(20-12)23-8-6-22(7-9-23)17(24)15-5-4-14(11-16(15)19)27(3,25)26/h4-5,10-11H,6-9H2,1-3H3