(phenylmethyl) 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoate Openeye Name: benzyl 2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(6-piperidinopyrimidin-4-yl)thio]acetic acid benzyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S/c22-18(23-12-15-7-3-1-4-8-15)13-24-17-11-16(19-14-20-17)21-9-5-2-6-10-21/h1,3-4,7-8,11,14H,2,5-6,9-10,12-13H2