4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]benzamide

Systemtic Name: 4-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C31H38ClN5OS MolecularWeight: 564.18432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H38ClN5OS/c1-36(27-10-6-3-7-11-27)29-20-28(32)34-31(35-29)39-22-24-12-14-25(15-13-24)30(38)33-26-16-18-37(19-17-26)21-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,20,26-27H,3,6-7,10-11,16-19,21-22H2,1H3,(H,33,38)