(5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]methanone Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H22ClN3O2S/c1-25-17-6-5-15(20)8-16(17)18(24)14-4-3-7-23(12-14)11-13-9-21-19(26-2)22-10-13/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3/t14-/m0/s1