methyl 4-phenylsulfanylpyrimidine-5-carboxylate

Systemtic Name: methyl 4-phenylsulfanylpyrimidine-5-carboxylate Openeye Name: methyl 4-phenylsulfanylpyrimidine-5-carboxylate CAS Name: 4-(phenylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(phenylthio)pyrimidine-5-carboxylic acid methyl ester Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CN=C1SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN=CN=C1SC2=CC=CC=C2

InChI

InChI=1S/C12H10N2O2S/c1-16-12(15)10-7-13-8-14-11(10)17-9-5-3-2-4-6-9/h2-8H,1H3