8-[2-[bis(fluoranyl)methoxy]phenyl]-3-butyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[bis(fluoranyl)methoxy]phenyl]-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[2-(difluoromethoxy)phenyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[2-(difluoromethoxy)phenyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[2-(difluoromethoxy)phenyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[2-(difluoromethoxy)phenyl]-7-methyl-xanthine Formula: C17H18F2N4O3 MolecularWeight: 364.346626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3OC(F)F)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3OC(F)F)C

InChI

InChI=1S/C17H18F2N4O3/c1-3-4-9-23-14-12(15(24)21-17(23)25)22(2)13(20-14)10-7-5-6-8-11(10)26-16(18)19/h5-8,16H,3-4,9H2,1-2H3,(H,21,24,25)