ethyl 2-(4-methoxyphenyl)-4-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methoxyphenyl)-4-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methoxyphenyl)-4-methyl-6-(2-pyridylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-6-(2-pyridinylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)-4-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-6-(2-pyridylmethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC2=CC=CC=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=CC=CC=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H21N3O3S/c1-4-27-21(25)18-14(2)23-19(15-8-10-17(26-3)11-9-15)24-20(18)28-13-16-7-5-6-12-22-16/h5-12H,4,13H2,1-3H3