1,3-dipropyl-7-[[4-(trifluoromethyloxy)phenyl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dipropyl-7-[[4-(trifluoromethyloxy)phenyl]methyl]purine-2,6-dione Openeye Name: 1,3-dipropyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dipropyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dipropyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dipropyl-7-[4-(trifluoromethoxy)benzyl]xanthine Formula: C19H21F3N4O3 MolecularWeight: 410.39025

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H21F3N4O3/c1-3-9-25-16-15(17(27)26(10-4-2)18(25)28)24(12-23-16)11-13-5-7-14(8-6-13)29-19(20,21)22/h5-8,12H,3-4,9-11H2,1-2H3