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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C22H29ClN6O2S MolecularWeight: 477.02266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

InChI

InChI=1S/C22H29ClN6O2S/c1-3-6-21(31)29-12-11-28(14-16(29)2)19-13-18(23)26-22(27-19)32-15-20(30)25-10-8-17-7-4-5-9-24-17/h4-5,7,9,13,16H,3,6,8,10-12,14-15H2,1-2H3,(H,25,30)