(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidino]methanone Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C20H24ClN3O2S/c1-26-16-7-5-14(6-8-16)3-4-15-9-11-24(12-10-15)19(25)18-17(21)13-22-20(23-18)27-2/h5-8,13,15H,3-4,9-12H2,1-2H3