1-[2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-chloranyl-6-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-chloro-6-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-chloro-6-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetyl]isonipecotamide 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)N4CCC(CC4)C(=O)N)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)C(=O)N)Cl

InChI

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