methyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate Openeye Name: methyl 2-(1-methyl-1-phenylsulfanyl-ethyl)pyrimidine-5-carboxylate CAS Name: 2-[2-(phenylthio)propan-2-yl]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate Traditional Name: 2-[1-methyl-1-(phenylthio)ethyl]pyrimidine-5-carboxylic acid methyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC=C(C=N1)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C1=NC=C(C=N1)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2S/c1-15(2,20-12-7-5-4-6-8-12)14-16-9-11(10-17-14)13(18)19-3/h4-10H,1-3H3