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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3-cyclopentyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C26H34ClN5O2S MolecularWeight: 516.09846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H34ClN5O2S/c1-19-17-31(13-14-32(19)25(34)12-11-20-7-5-6-8-20)23-15-22(27)29-26(30-23)35-18-24(33)28-16-21-9-3-2-4-10-21/h2-4,9-10,15,19-20H,5-8,11-14,16-18H2,1H3,(H,28,33)