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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1,2-diphenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(1,2-diphenylethyl)acetamide Formula: C31H36ClN5O2S MolecularWeight: 578.16784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H36ClN5O2S/c1-22-20-36(16-17-37(22)30(39)25-14-8-9-15-25)28-19-27(32)34-31(35-28)40-21-29(38)33-26(24-12-6-3-7-13-24)18-23-10-4-2-5-11-23/h2-7,10-13,19,22,25-26H,8-9,14-18,20-21H2,1H3,(H,33,38)