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

Systemtic Name: 3-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 3-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 3-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 3-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 3-propyl-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:

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N6O2/c1-2-6-28-16-14(17(29)26-18(28)30)24-15(25-16)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,29,30)