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

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-indan-5-yl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-indan-5-yl-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H19N5OS/c28-21(26-18-8-7-15-4-2-5-16(15)10-18)17-6-1-3-14(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22/h1,3,6-11,13H,2,4-5,12H2,(H,26,28)(H,23,24,25,27)