2-[[4-(trifluoromethyl)phenyl]amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[[4-(trifluoromethyl)phenyl]amino]-3,7-dihydropurin-6-one Openeye Name: 2-[4-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one CAS Name: 2-[4-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one IUPAC Name: 2-[4-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one Traditional Name: 2-[4-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one Formula: C12H8F3N5O MolecularWeight: 295.22003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C12H8F3N5O/c13-12(14,15)6-1-3-7(4-2-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)