3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(phenylsulfonyl)benzamide

Systemtic Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzamide CAS Name: N-(benzenesulfonyl)-3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]benzamide IUPAC Name: N-(benzenesulfonyl)-3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzamide Traditional Name: N-besyl-3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzamide Formula: C22H17F3N6O3S MolecularWeight: 502.46899

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C22H17F3N6O3S/c23-22(24,25)21-28-18(27-14-9-10-14)17-19(29-21)31(12-26-17)15-6-4-5-13(11-15)20(32)30-35(33,34)16-7-2-1-3-8-16/h1-8,11-12,14H,9-10H2,(H,30,32)(H,27,28,29)