1,3-dimethyl-6-propan-2-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1,3-dimethyl-6-propan-2-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 6-isopropyl-1,3-dimethyl-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1,3-dimethyl-6-propan-2-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-6-propan-2-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 6-isopropyl-1,3-dimethyl-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S)C

InChI

InChI=1S/C21H22N6OS/c1-12(2)17-11-16(18-13(3)25-26(4)19(18)24-17)20(28)23-14-6-5-7-15(10-14)27-9-8-22-21(27)29/h5-12H,1-4H3,(H,22,29)(H,23,28)