2-indol-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-indol-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-indol-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(1-indolyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide IUPAC Name: 2-indol-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-indol-1-yl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H18N6OS/c29-20(12-28-9-8-16-5-1-2-7-19(16)28)26-17-6-3-4-15(10-17)13-30-22-18-11-25-27-21(18)23-14-24-22/h1-11,14H,12-13H2,(H,26,29)(H,23,24,25,27)