1-methyl-4-[(phenylmethyl)amino]-6-(phenylmethylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 1-methyl-4-[(phenylmethyl)amino]-6-(phenylmethylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-(benzylamino)-6-benzylsulfanyl-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1-methyl-4-[(phenylmethyl)amino]-6-(phenylmethylthio)-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-(benzylamino)-6-benzylsulfanyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-(benzylamino)-6-(benzylthio)-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=C(C(=C2C=N1)NCC3=CC=CC=C3)C(=O)O)SCC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=C(C(=C2C=N1)NCC3=CC=CC=C3)C(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-26-20-17(13-24-26)19(23-12-15-8-4-2-5-9-15)18(22(27)28)21(25-20)29-14-16-10-6-3-7-11-16/h2-11,13H,12,14H2,1H3,(H,23,25)(H,27,28)