2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(4-benzoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-(4-benzoyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-(4-benzoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-(4-benzoyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C24H30ClN5O2S MolecularWeight: 488.0453

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C24H30ClN5O2S/c1-17-15-29(12-13-30(17)23(32)18-8-4-2-5-9-18)21-14-20(25)27-24(28-21)33-16-22(31)26-19-10-6-3-7-11-19/h2,4-5,8-9,14,17,19H,3,6-7,10-13,15-16H2,1H3,(H,26,31)