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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(F)(F)F)N=C1Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(F)(F)F)N=C1Cl

InChI

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