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

Systemtic Name: 8-ethyl-7-methyl-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 8-ethyl-7-methyl-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 8-ethyl-7-methyl-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-ethyl-7-methyl-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 8-ethyl-7-methyl-3-propyl-1-[4-(trifluoromethyl)benzyl]xanthine Formula: C19H21F3N4O2 MolecularWeight: 394.39085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N4O2/c1-4-10-25-16-15(24(3)14(5-2)23-16)17(27)26(18(25)28)11-12-6-8-13(9-7-12)19(20,21)22/h6-9H,4-5,10-11H2,1-3H3