2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(diphenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-(4-benzhydrylpiperazino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C29H34ClN5OS MolecularWeight: 536.13116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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