2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide Formula: C21H24F3N5O3 MolecularWeight: 451.44217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC(F)(F)F

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC(F)(F)F

InChI

InChI=1S/C21H24F3N5O3/c1-14(2)8-9-27-13-26-18-17(27)19(31)29(11-16(30)25-12-21(22,23)24)20(32)28(18)10-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,25,30)