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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C24H35ClN6O3S MolecularWeight: 523.0911

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC4CCCCNC4=O)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NC4CCCCNC4=O)Cl

InChI

InChI=1S/C24H35ClN6O3S/c1-16-14-30(11-12-31(16)23(34)17-7-3-2-4-8-17)20-13-19(25)28-24(29-20)35-15-21(32)27-18-9-5-6-10-26-22(18)33/h13,16-18H,2-12,14-15H2,1H3,(H,26,33)(H,27,32)