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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C23H35ClN6O2S MolecularWeight: 495.081

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

InChI

InChI=1S/C23H35ClN6O2S/c1-17-15-29(12-13-30(17)22(32)18-6-2-3-7-18)20-14-19(24)26-23(27-20)33-16-21(31)25-8-11-28-9-4-5-10-28/h14,17-18H,2-13,15-16H2,1H3,(H,25,31)