N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-4-carboxamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-4-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-4-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-4-carboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-4-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-4-carboxamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C3C=CNC3=CC=C2)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C3C=CNC3=CC=C2)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C21H16N6OS/c28-20(16-5-2-6-18-15(16)7-8-22-18)26-14-4-1-3-13(9-14)11-29-21-17-10-25-27-19(17)23-12-24-21/h1-10,12,22H,11H2,(H,26,28)(H,23,24,25,27)