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

Systemtic Name: 3-ethyl-1-propyl-8-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-propyl-8-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 3-ethyl-1-propyl-8-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-propyl-8-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-propyl-8-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C20H20F3N7O2 MolecularWeight: 447.41371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N7O2/c1-3-7-30-18(31)15-17(29(4-2)19(30)32)27-16(26-15)13-9-25-28(11-13)10-12-5-6-14(24-8-12)20(21,22)23/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,26,27)