5-methyl-7-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-7-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-7-(2-methylsulfanyl-3-pyridyl)-2-oxo-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-7-[2-(methylthio)-3-pyridinyl]-2-oxo-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-7-(2-methylsulfanylpyridin-3-yl)-2-oxo-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 2-keto-5-methyl-7-[2-(methylthio)-3-pyridyl]-4,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CC(=O)N2)N1)C3=C(N=CC=C3)SC)C(=O)O

Isomeric SMILES

CC1=C(C(N2C(=CC(=O)N2)N1)C3=C(N=CC=C3)SC)C(=O)O

InChI

InChI=1S/C14H14N4O3S/c1-7-11(14(20)21)12(8-4-3-5-15-13(8)22-2)18-9(16-7)6-10(19)17-18/h3-6,12,16H,1-2H3,(H,17,19)(H,20,21)