2-chloranyl-1-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-one

Systemtic Name: 2-chloranyl-1-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-one Openeye Name: 2-chloro-1-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-one CAS Name: 2-chloro-1-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-one IUPAC Name: 2-chloro-1-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-one Traditional Name: 2-chloro-1-methyl-8-[2-(trifluoromethyl)benzyl]-7H-purin-6-one Formula: C14H10ClF3N4O MolecularWeight: 342.70361

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3C(F)(F)F)N=C1Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3C(F)(F)F)N=C1Cl

InChI

InChI=1S/C14H10ClF3N4O/c1-22-12(23)10-11(21-13(22)15)20-9(19-10)6-7-4-2-3-5-8(7)14(16,17)18/h2-5H,6H2,1H3,(H,19,20)