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

Systemtic Name: 2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(diphenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[4-(4-benzhydrylpiperazino)-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C28H34ClN5OS MolecularWeight: 524.12046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H34ClN5OS/c1-2-3-10-15-30-26(35)21-36-28-31-24(29)20-25(32-28)33-16-18-34(19-17-33)27(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20,27H,2-3,10,15-19,21H2,1H3,(H,30,35)