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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1,2-diphenylethyl)acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(1,2-diphenylethyl)acetamide Formula: C29H34ClN5O2S MolecularWeight: 552.13056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H34ClN5O2S/c1-3-10-28(37)35-16-15-34(19-21(35)2)26-18-25(30)32-29(33-26)38-20-27(36)31-24(23-13-8-5-9-14-23)17-22-11-6-4-7-12-22/h4-9,11-14,18,21,24H,3,10,15-17,19-20H2,1-2H3,(H,31,36)