ethyl 4-azanyl-3-methylsulfanyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-3-methylsulfanyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-amino-3-methylsulfanyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-amino-3-(methylthio)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-methylsulfanyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-amino-6-keto-3-(methylthio)-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(NN(C2=NC1=O)C3=CC=CC=C3)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(NN(C2=NC1=O)C3=CC=CC=C3)SC)N

InChI

InChI=1S/C16H16N4O3S/c1-3-23-16(22)11-12(17)10-13(18-14(11)21)20(19-15(10)24-2)9-7-5-4-6-8-9/h4-8,19H,3,17H2,1-2H3