3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C29H34ClN5OS MolecularWeight: 536.13116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34ClN5OS/c30-26-19-27(35-16-14-34(15-17-35)20-22-8-3-1-4-9-22)33-29(32-26)37-21-23-10-7-11-24(18-23)28(36)31-25-12-5-2-6-13-25/h1,3-4,7-11,18-19,25H,2,5-6,12-17,20-21H2,(H,31,36)