ethyl 6-methyl-2-methylsulfanyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-1,4-diphenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-1,4-diphenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=CC=C2)SC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC=CC=C2)SC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-4-25-20(24)18-15(2)23(17-13-9-6-10-14-17)21(26-3)22-19(18)16-11-7-5-8-12-16/h5-14,19H,4H2,1-3H3