3-butanoyl-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-butanoyl-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-butanoyl-6-methyl-4-(2-methylsulfanyl-3-pyridyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[2-(methylthio)-3-pyridinyl]-2-oxo-3-(1-oxobutyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-butanoyl-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-butyryl-2-keto-6-methyl-4-[2-(methylthio)-3-pyridyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(C(=C(NC1=O)C)C(=O)O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCCC(=O)N1C(C(=C(NC1=O)C)C(=O)O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H19N3O4S/c1-4-6-11(20)19-13(10-7-5-8-17-14(10)24-3)12(15(21)22)9(2)18-16(19)23/h5,7-8,13H,4,6H2,1-3H3,(H,18,23)(H,21,22)