8-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-5,9-dihydropurine-2,6-dione

Systemtic Name: 8-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-5,9-dihydropurine-2,6-dione Openeye Name: 8-[5-[3-(trifluoromethyl)phenyl]-2-furyl]-5,9-dihydropurine-2,6-dione CAS Name: 8-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-5,9-dihydropurine-2,6-dione IUPAC Name: 8-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-5,9-dihydropurine-2,6-dione Traditional Name: 8-[5-[3-(trifluoromethyl)phenyl]-2-furyl]-5,9-dihydropurine-2,6-quinone Formula: C16H9F3N4O3 MolecularWeight: 362.26287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3=NC4C(=NC(=O)NC4=O)N3

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3=NC4C(=NC(=O)NC4=O)N3

InChI

InChI=1S/C16H9F3N4O3/c17-16(18,19)8-3-1-2-7(6-8)9-4-5-10(26-9)12-20-11-13(21-12)22-15(25)23-14(11)24/h1-6,11H,(H2,20,21,22,23,24,25)