9-methyl-2-[(phenylmethyl)amino]-8-(trifluoromethyl)-3H-purin-6-one

Systemtic Name: 9-methyl-2-[(phenylmethyl)amino]-8-(trifluoromethyl)-3H-purin-6-one Openeye Name: 2-(benzylamino)-9-methyl-8-(trifluoromethyl)-3H-purin-6-one CAS Name: 9-methyl-2-[(phenylmethyl)amino]-8-(trifluoromethyl)-3H-purin-6-one IUPAC Name: 2-(benzylamino)-9-methyl-8-(trifluoromethyl)-3H-purin-6-one Traditional Name: 2-(benzylamino)-9-methyl-8-(trifluoromethyl)-3H-purin-6-one Formula: C14H12F3N5O MolecularWeight: 323.27319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C(N2)NCC3=CC=CC=C3)N=C1C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N=C(N2)NCC3=CC=CC=C3)N=C1C(F)(F)F

InChI

InChI=1S/C14H12F3N5O/c1-22-10-9(19-12(22)14(15,16)17)11(23)21-13(20-10)18-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,18,20,21,23)