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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(3-cyclopentyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(2-pyridylmethyl)acetamide Formula: C25H33ClN6O2S MolecularWeight: 517.08652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C25H33ClN6O2S/c1-18-16-31(12-13-32(18)24(34)10-9-19-6-2-3-7-19)22-14-21(26)29-25(30-22)35-17-23(33)28-15-20-8-4-5-11-27-20/h4-5,8,11,14,18-19H,2-3,6-7,9-10,12-13,15-17H2,1H3,(H,28,33)