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

Systemtic Name: dimethyl 4-azanyl-1-(4-methylphenyl)sulfonyl-3-methylsulfanyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-3-methylsulfanyl-1-(p-tolylsulfonyl)pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-1-(4-methylphenyl)sulfonyl-3-(methylthio)pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-1-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-3-(methylthio)-1-tosyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S2/c1-9-5-7-10(8-6-9)30(25,26)22-15-12(16(21-22)29-4)13(19)11(17(23)27-2)14(20-15)18(24)28-3/h5-8H,1-4H3,(H2,19,20)