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

Systemtic Name: 2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-hexanoyl-3-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-(4-caproyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C24H32ClN5O2S MolecularWeight: 490.06118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C24H32ClN5O2S/c1-4-5-6-7-23(32)30-13-12-29(15-18(30)3)21-14-20(25)27-24(28-21)33-16-22(31)26-19-10-8-17(2)9-11-19/h8-11,14,18H,4-7,12-13,15-16H2,1-3H3,(H,26,31)