ethyl 5-(2,3-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 5-(2,3-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: ethyl 5-(2,3-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-(2,3-dimethylphenyl)-2-(methylthio)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,3-dimethylphenyl)-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-(2,3-dimethylphenyl)-2-(methylthio)pyrimidine-4-carboxylic acid ethyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NC=C1C2=C(C(=CC=C2)C)C)SC

Isomeric SMILES

CCOC(=O)C1=NC(=NC=C1C2=C(C(=CC=C2)C)C)SC

InChI

InChI=1S/C16H18N2O2S/c1-5-20-15(19)14-13(9-17-16(18-14)21-4)12-8-6-7-10(2)11(12)3/h6-9H,5H2,1-4H3