2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3,5-dihydropurin-6-one

Systemtic Name: 2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3,5-dihydropurin-6-one Openeye Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one CAS Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one IUPAC Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one Traditional Name: 2-[4-bromo-3-(trifluoromethyl)anilino]-3,5-dihydropurin-6-one Formula: C12H7BrF3N5O MolecularWeight: 374.11609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=O)C3C(=NC=N3)N2)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=O)C3C(=NC=N3)N2)C(F)(F)F)Br

InChI

InChI=1S/C12H7BrF3N5O/c13-7-2-1-5(3-6(7)12(14,15)16)19-11-20-9-8(10(22)21-11)17-4-18-9/h1-4,8H,(H2,17,18,19,20,21,22)