dimethyl 4-azanyl-1-(4-methylphenyl)sulfonyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 4-azanyl-1-(4-methylphenyl)sulfonyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-1-(p-tolylsulfonyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-1-(4-methylphenyl)sulfonylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-1-(4-methylphenyl)sulfonylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-1-tosyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=NC(=C(C(=C3C=N2)N)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=NC(=C(C(=C3C=N2)N)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H16N4O6S/c1-9-4-6-10(7-5-9)28(24,25)21-15-11(8-19-21)13(18)12(16(22)26-2)14(20-15)17(23)27-3/h4-8H,1-3H3,(H2,18,20)