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

Systemtic Name: 3-methyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 3-methyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 3-methyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 3-methyl-1-propyl-8-[1-[3-(trifluoromethyl)benzyl]pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C20H19F3N6O2 MolecularWeight: 432.39907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)C

Isomeric SMILES

CCCN1C(=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/C20H19F3N6O2/c1-3-7-29-18(30)15-17(27(2)19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,25,26)