methyl 4-azanyl-6-methyl-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: methyl 4-azanyl-6-methyl-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 4-amino-6-methyl-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-amino-6-methyl-3-(methylthio)-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-6-methyl-3-methylsulfanyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-amino-6-methyl-3-(methylthio)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=N1)N(N=C2SC)C3=CC=CC=C3)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2C(=N1)N(N=C2SC)C3=CC=CC=C3)N)C(=O)OC

InChI

InChI=1S/C16H16N4O2S/c1-9-11(16(21)22-2)13(17)12-14(18-9)20(19-15(12)23-3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,17,18)