ethyl 6-methyl-4-[(3-methylphenyl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[(3-methylphenyl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(m-tolylmethylsulfanyl)-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[(3-methylphenyl)methylthio]-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[(3-methylphenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[(3-methylbenzyl)thio]-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC=CC(=C2)C)C

InChI

InChI=1S/C16H18N2O3S/c1-4-21-15(19)13-11(3)17-16(20)18-14(13)22-9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,18,20)