3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(4-fluorophenyl)sulfonyl-benzamide

Systemtic Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(4-fluorophenyl)sulfonyl-benzamide Openeye Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(4-fluorophenyl)sulfonyl-benzamide CAS Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]-N-(4-fluorophenyl)sulfonylbenzamide IUPAC Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(4-fluorophenyl)sulfonylbenzamide Traditional Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(4-fluorophenyl)sulfonyl-benzamide Formula: C22H16F4N6O3S MolecularWeight: 520.459453

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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=C(C=C5)F)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H16F4N6O3S/c23-13-4-8-16(9-5-13)36(34,35)31-20(33)12-2-1-3-15(10-12)32-11-27-17-18(28-14-6-7-14)29-21(22(24,25)26)30-19(17)32/h1-5,8-11,14H,6-7H2,(H,31,33)(H,28,29,30)