1-[4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotamide Formula: C25H32ClN5O2S MolecularWeight: 502.07188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)Cl

InChI

InChI=1S/C25H32ClN5O2S/c1-30(20-5-3-2-4-6-20)22-15-21(26)28-25(29-22)34-16-17-7-9-19(10-8-17)24(33)31-13-11-18(12-14-31)23(27)32/h7-10,15,18,20H,2-6,11-14,16H2,1H3,(H2,27,32)