5-oxidanylidene-7-(pyridin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 5-oxidanylidene-7-(pyridin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-oxo-7-(2-pyridylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-oxo-7-[(2-pyridinylthio)methyl]-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5-oxo-7-(pyridin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-keto-7-[(2-pyridylthio)methyl]-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=CC(=O)N=C3N2NC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC2=CC(=O)N=C3N2NC(=C3)C(=O)O

InChI

InChI=1S/C13H10N4O3S/c18-11-5-8(7-21-12-3-1-2-4-14-12)17-10(15-11)6-9(16-17)13(19)20/h1-6,16H,7H2,(H,19,20)