ethyl 6-methyl-2-oxidanylidene-4-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-oxidanylidene-4-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-oxo-4-(4-pyridylmethylsulfanyl)-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(pyridin-4-ylmethylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-oxo-4-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(4-pyridylmethylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-3-20-13(18)11-9(2)16-14(19)17-12(11)21-8-10-4-6-15-7-5-10/h4-7H,3,8H2,1-2H3,(H,16,17,19)