N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-7-carboxamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-7-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-7-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-7-carboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-7-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-7-carboxamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5)NC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5)NC=C2

InChI

InChI=1S/C21H16N6OS/c28-20(16-6-2-4-14-7-8-22-18(14)16)26-15-5-1-3-13(9-15)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)