4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide

Systemtic Name: 4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide Openeye Name: 4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide CAS Name: 4-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]-N-methylsulfonylbenzamide IUPAC Name: 4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonylbenzamide Traditional Name: 4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-mesyl-benzamide Formula: C17H15F3N6O3S MolecularWeight: 440.39961

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

InChI

InChI=1S/C17H15F3N6O3S/c1-30(28,29)25-15(27)9-2-6-11(7-3-9)26-8-21-12-13(22-10-4-5-10)23-16(17(18,19)20)24-14(12)26/h2-3,6-8,10H,4-5H2,1H3,(H,25,27)(H,22,23,24)