8-chloranyl-3-[3,3,3-tris(fluoranyl)propyl]-7H-purine-2,6-dione

Systemtic Name: 8-chloranyl-3-[3,3,3-tris(fluoranyl)propyl]-7H-purine-2,6-dione Openeye Name: 8-chloro-3-(3,3,3-trifluoropropyl)-7H-purine-2,6-dione CAS Name: 8-chloro-3-(3,3,3-trifluoropropyl)-7H-purine-2,6-dione IUPAC Name: 8-chloro-3-(3,3,3-trifluoropropyl)-7H-purine-2,6-dione Traditional Name: 8-chloro-3-(3,3,3-trifluoropropyl)-7H-purine-2,6-quinone Formula: C8H6ClF3N4O2 MolecularWeight: 282.60705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CN1C2=C(C(=O)NC1=O)NC(=N2)Cl)C(F)(F)F

Isomeric SMILES

C(CN1C2=C(C(=O)NC1=O)NC(=N2)Cl)C(F)(F)F

InChI

InChI=1S/C8H6ClF3N4O2/c9-6-13-3-4(14-6)16(2-1-8(10,11)12)7(18)15-5(3)17/h1-2H2,(H,13,14)(H,15,17,18)