methyl 2-methylsulfanyl-4-pyridin-3-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-pyridin-3-yl-pyrimidine-5-carboxylate Openeye Name: methyl 2-methylsulfanyl-4-(3-pyridyl)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(3-pyridinyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-pyridin-3-ylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(3-pyridyl)pyrimidine-5-carboxylic acid methyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C2=CN=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C2=CN=CC=C2)SC

InChI

InChI=1S/C12H11N3O2S/c1-17-11(16)9-7-14-12(18-2)15-10(9)8-4-3-5-13-6-8/h3-7H,1-2H3