dimethyl 4-azanyl-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 4-azanyl-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-3-(methylthio)-1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-3-methylsulfanyl-1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-3-(methylthio)-1-phenyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=CC=C3)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C17H16N4O4S/c1-24-16(22)10-12(18)11-14(19-13(10)17(23)25-2)21(20-15(11)26-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,18,19)