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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C30H36ClN5O2S MolecularWeight: 566.15714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C30H36ClN5O2S/c1-3-10-28(37)36-18-17-34(20-23(36)2)27-19-26(31)32-30(33-27)39-22-29(38)35(21-25-13-8-5-9-14-25)16-15-24-11-6-4-7-12-24/h4-9,11-14,19,23H,3,10,15-18,20-22H2,1-2H3