methyl 2-(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-piperidino-pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC)N2CCCCC2

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC)N2CCCCC2

InChI

InChI=1S/C13H19N3O2S/c1-10-8-11(16-6-4-3-5-7-16)15-13(14-10)19-9-12(17)18-2/h8H,3-7,9H2,1-2H3