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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C21H23N5O2S/c1-12(2)26-20-15(10-23-26)14(9-17(24-20)13-7-8-13)21(28)25-16-5-3-4-6-18(16)29-11-19(22)27/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H2,22,27)(H,25,28)