3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide Openeye Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide CAS Name: 3-[6-(methylamino)-2-(trifluoromethyl)-9-purinyl]-N-methylsulfonylbenzamide IUPAC Name: 3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonylbenzamide Traditional Name: N-mesyl-3-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]benzamide Formula: C15H13F3N6O3S MolecularWeight: 414.36233

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC=CC(=C3)C(=O)NS(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC=CC(=C3)C(=O)NS(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C15H13F3N6O3S/c1-19-11-10-12(22-14(21-11)15(16,17)18)24(7-20-10)9-5-3-4-8(6-9)13(25)23-28(2,26)27/h3-7H,1-2H3,(H,23,25)(H,19,21,22)