3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(5-methylpyridin-2-yl)sulfonyl-benzamide

Systemtic Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(5-methylpyridin-2-yl)sulfonyl-benzamide Openeye Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-[(5-methyl-2-pyridyl)sulfonyl]benzamide CAS Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]-N-[(5-methyl-2-pyridinyl)sulfonyl]benzamide IUPAC Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(5-methylpyridin-2-yl)sulfonylbenzamide Traditional Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-[(5-methyl-2-pyridyl)sulfonyl]benzamide Formula: C22H18F3N7O3S MolecularWeight: 517.48363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)N3C=NC4=C3N=C(N=C4NC5CC5)C(F)(F)F

Isomeric SMILES

CC1=CN=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)N3C=NC4=C3N=C(N=C4NC5CC5)C(F)(F)F

InChI

InChI=1S/C22H18F3N7O3S/c1-12-5-8-16(26-10-12)36(34,35)31-20(33)13-3-2-4-15(9-13)32-11-27-17-18(28-14-6-7-14)29-21(22(23,24)25)30-19(17)32/h2-5,8-11,14H,6-7H2,1H3,(H,31,33)(H,28,29,30)