4-azanyl-1-(2-ethylsulfanylethyl)-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-azanyl-1-(2-ethylsulfanylethyl)-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-amino-1-(2-ethylsulfanylethyl)-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-amino-1-[2-(ethylthio)ethyl]-6-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-amino-1-(2-ethylsulfanylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-amino-1-[2-(ethylthio)ethyl]-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C2=NC(=C(C(=C2C=N1)N)C(=O)O)C

Isomeric SMILES

CCSCCN1C2=NC(=C(C(=C2C=N1)N)C(=O)O)C

InChI

InChI=1S/C12H16N4O2S/c1-3-19-5-4-16-11-8(6-14-16)10(13)9(12(17)18)7(2)15-11/h6H,3-5H2,1-2H3,(H2,13,15)(H,17,18)