2-(3-chlorophenyl)-N-[[4-(3-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]ethanamine

Systemtic Name: 2-(3-chlorophenyl)-N-[[4-(3-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]ethanamine Openeye Name: 2-(3-chlorophenyl)-N-[[4-(3-methyl-1-piperidyl)-2-methylsulfanyl-pyrimidin-5-yl]methyl]ethanamine CAS Name: 2-(3-chlorophenyl)-N-[[4-(3-methyl-1-piperidinyl)-2-(methylthio)-5-pyrimidinyl]methyl]ethanamine IUPAC Name: 2-(3-chlorophenyl)-N-[[4-(3-methylpiperidin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methyl]ethanamine Traditional Name: 2-(3-chlorophenyl)ethyl-[[4-(3-methylpiperidino)-2-(methylthio)pyrimidin-5-yl]methyl]amine Formula: C20H27ClN4S MolecularWeight: 390.97318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=NC=C2CNCCC3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CC1CCCN(C1)C2=NC(=NC=C2CNCCC3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C20H27ClN4S/c1-15-5-4-10-25(14-15)19-17(13-23-20(24-19)26-2)12-22-9-8-16-6-3-7-18(21)11-16/h3,6-7,11,13,15,22H,4-5,8-10,12,14H2,1-2H3