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

Systemtic Name: 2-chloranyl-1-methyl-8-(trifluoromethyl)-7H-purin-6-one Openeye Name: 2-chloro-1-methyl-8-(trifluoromethyl)-7H-purin-6-one CAS Name: 2-chloro-1-methyl-8-(trifluoromethyl)-7H-purin-6-one IUPAC Name: 2-chloro-1-methyl-8-(trifluoromethyl)-7H-purin-6-one Traditional Name: 2-chloro-1-methyl-8-(trifluoromethyl)-7H-purin-6-one Formula: C7H4ClF3N4O MolecularWeight: 252.58107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)C(F)(F)F)N=C1Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)C(F)(F)F)N=C1Cl

InChI

InChI=1S/C7H4ClF3N4O/c1-15-4(16)2-3(14-6(15)8)13-5(12-2)7(9,10)11/h1H3,(H,12,13)