7-methyl-2-[[3-(trifluoromethyl)phenyl]amino]-5H-purin-6-one

Systemtic Name: 7-methyl-2-[[3-(trifluoromethyl)phenyl]amino]-5H-purin-6-one Openeye Name: 7-methyl-2-[3-(trifluoromethyl)anilino]-5H-purin-6-one CAS Name: 7-methyl-2-[3-(trifluoromethyl)anilino]-5H-purin-6-one IUPAC Name: 7-methyl-2-[3-(trifluoromethyl)anilino]-5H-purin-6-one Traditional Name: 7-methyl-2-[3-(trifluoromethyl)anilino]-5H-purin-6-one Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=NC(=NC(=O)C21)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1C=NC2=NC(=NC(=O)C21)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C13H10F3N5O/c1-21-6-17-10-9(21)11(22)20-12(19-10)18-8-4-2-3-7(5-8)13(14,15)16/h2-6,9H,1H3,(H,18,20,22)