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

Systemtic Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-ethylsulfonyl-benzamide Openeye Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-ethylsulfonyl-benzamide CAS Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]-N-ethylsulfonylbenzamide IUPAC Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-ethylsulfonylbenzamide Traditional Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-esyl-benzamide Formula: C18H17F3N6O3S MolecularWeight: 454.42619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N6O3S/c1-2-31(29,30)26-16(28)10-4-3-5-12(8-10)27-9-22-13-14(23-11-6-7-11)24-17(18(19,20)21)25-15(13)27/h3-5,8-9,11H,2,6-7H2,1H3,(H,26,28)(H,23,24,25)