3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione

Analyte Name

3-Ethyl-3,9-dihydro-1-propyl-8-(1-((3-(trifluoromethyl)phenyl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6-dione

CAS Number

752222-83-6

Molecular Formula

C21 H21 F3 N6 O2

Molecular Weight

446.426

Accurate Mass

446.168

SMILES

CCCN1C(=O)N(CC)c2nc([nH]c2C1=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3

InChI

InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)

IUPAC

3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat