N-(1-ethanoyl-2,3-dihydroindol-5-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1-ethanoyl-2,3-dihydroindol-5-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(1-acetylindolin-5-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(1-acetylindolin-5-yl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H20N6O2S/c1-14(30)29-8-7-16-10-18(5-6-20(16)29)27-22(31)17-4-2-3-15(9-17)12-32-23-19-11-26-28-21(19)24-13-25-23/h2-6,9-11,13H,7-8,12H2,1H3,(H,27,31)(H,24,25,26,28)