2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzhydryl-2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C28H32ClN5O2S MolecularWeight: 538.10398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H32ClN5O2S/c1-3-10-26(36)34-16-15-33(18-20(34)2)24-17-23(29)30-28(31-24)37-19-25(35)32-27(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,17,20,27H,3,10,15-16,18-19H2,1-2H3,(H,32,35)