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

Systemtic Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C21H20F3N7O2 MolecularWeight: 459.42441

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CN=C(C=C5)C(F)(F)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CN=C(C=C5)C(F)(F)F

InChI

InChI=1S/C21H20F3N7O2/c1-2-30-18-16(19(32)31(20(30)33)10-12-3-4-12)27-17(28-18)14-8-26-29(11-14)9-13-5-6-15(25-7-13)21(22,23)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,28)