N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4SCC(=O)N)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4SCC(=O)N)C

InChI

InChI=1S/C23H21N5O2S/c1-14-21-16(23(30)26-17-10-6-7-11-19(17)31-13-20(24)29)12-18(15-8-4-3-5-9-15)25-22(21)28(2)27-14/h3-12H,13H2,1-2H3,(H2,24,29)(H,26,30)