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

Systemtic Name: ethyl 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-5-22-16(20)14-12(4)18-17(21)19-15(14)23-9-13-8-10(2)6-7-11(13)3/h6-8H,5,9H2,1-4H3,(H,18,19,21)