2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazino]-N-(2-ethylphenyl)acetamide Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C20H24ClN5O2S/c1-3-14-6-4-5-7-16(14)23-17(27)13-25-8-10-26(11-9-25)19(28)18-15(21)12-22-20(24-18)29-2/h4-7,12H,3,8-11,13H2,1-2H3,(H,23,27)