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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C25H32ClN5O2S MolecularWeight: 502.07188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H32ClN5O2S/c1-18-16-30(12-13-31(18)24(33)20-10-6-3-7-11-20)22-14-21(26)28-25(29-22)34-17-23(32)27-15-19-8-4-2-5-9-19/h2,4-5,8-9,14,18,20H,3,6-7,10-13,15-17H2,1H3,(H,27,32)