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

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(2-p-phenetylethyl)piperidino]methanone Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C21H26ClN3O2S/c1-3-27-17-8-6-15(7-9-17)4-5-16-10-12-25(13-11-16)20(26)19-18(22)14-23-21(24-19)28-2/h6-9,14,16H,3-5,10-13H2,1-2H3