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

Systemtic Name: 1-ethyl-3-methyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 1-ethyl-3-methyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 1-ethyl-3-methyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 1-ethyl-3-methyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 1-ethyl-3-methyl-8-[1-[3-(trifluoromethyl)benzyl]pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C19H17F3N6O2 MolecularWeight: 418.37249

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)C

InChI

InChI=1S/C19H17F3N6O2/c1-3-28-17(29)14-16(26(2)18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-5-4-6-13(7-11)19(20,21)22/h4-8,10H,3,9H2,1-2H3,(H,24,25)