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

Systemtic Name: (phenylmethyl) 2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanoate Openeye Name: benzyl 2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetate CAS Name: 2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetic acid benzyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S/c21-17(22-11-14-6-2-1-3-7-14)12-23-16-10-15(18-13-19-16)20-8-4-5-9-20/h1-3,6-7,10,13H,4-5,8-9,11-12H2