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

Systemtic Name: dimethyl 4-azanyl-3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-3-(methylthio)-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-3-(methylthio)-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=C(C=C3)[N+](=O)[O-])SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=CC=C(C=C3)[N+](=O)[O-])SC)C(=O)OC

InChI

InChI=1S/C17H15N5O6S/c1-27-16(23)10-12(18)11-14(19-13(10)17(24)28-2)21(20-15(11)29-3)8-4-6-9(7-5-8)22(25)26/h4-7H,1-3H3,(H2,18,19)