ethyl 2-(4-methoxyphenyl)-4-methyl-6-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methoxyphenyl)-4-methyl-6-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methoxyphenyl)-4-methyl-6-(3-pyridylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-6-(3-pyridinylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)-4-methyl-6-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-6-(3-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=CN=CC=C2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)OC)C

InChI

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