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

Systemtic Name: N-tert-butyl-2-[4-chloranyl-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[4-chloro-6-[4-(3-cyclopentyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C23H36ClN5O2S MolecularWeight: 482.08224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36ClN5O2S/c1-16-14-28(11-12-29(16)21(31)10-9-17-7-5-6-8-17)19-13-18(24)25-22(26-19)32-15-20(30)27-23(2,3)4/h13,16-17H,5-12,14-15H2,1-4H3,(H,27,30)