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

Systemtic Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-thiophen-2-ylsulfonyl-benzamide Openeye Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(2-thienylsulfonyl)benzamide CAS Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]-N-thiophen-2-ylsulfonylbenzamide IUPAC Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-thiophen-2-ylsulfonylbenzamide Traditional Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-(2-thienylsulfonyl)benzamide Formula: C20H15F3N6O3S2 MolecularWeight: 508.49671

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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=CS5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C(=O)NS(=O)(=O)C5=CC=CS5)C(F)(F)F

InChI

InChI=1S/C20H15F3N6O3S2/c21-20(22,23)19-26-16(25-12-6-7-12)15-17(27-19)29(10-24-15)13-4-1-3-11(9-13)18(30)28-34(31,32)14-5-2-8-33-14/h1-5,8-10,12H,6-7H2,(H,28,30)(H,25,26,27)