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

Systemtic Name: 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide Openeye Name: 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide CAS Name: 3-[6-ethyl-2-(trifluoromethyl)-9-purinyl]-N-methylsulfonylbenzamide IUPAC Name: 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonylbenzamide Traditional Name: 3-[6-ethyl-2-(trifluoromethyl)purin-9-yl]-N-mesyl-benzamide Formula: C16H14F3N5O3S MolecularWeight: 413.37427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=CC(=C3)C(=O)NS(=O)(=O)C

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=CC(=C3)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C16H14F3N5O3S/c1-3-11-12-13(22-15(21-11)16(17,18)19)24(8-20-12)10-6-4-5-9(7-10)14(25)23-28(2,26)27/h4-8H,3H2,1-2H3,(H,23,25)