7-[2-[bis(fluoranyl)methyl]phenyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[2-[bis(fluoranyl)methyl]phenyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(difluoromethyl)phenyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[2-(difluoromethyl)phenyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(difluoromethyl)phenyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[2-(difluoromethyl)phenyl]-1,3-dimethyl-8-piperazino-xanthine Formula: C18H20F2N6O2 MolecularWeight: 390.387206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C(F)F

InChI

InChI=1S/C18H20F2N6O2/c1-23-15-13(16(27)24(2)18(23)28)26(12-6-4-3-5-11(12)14(19)20)17(22-15)25-9-7-21-8-10-25/h3-6,14,21H,7-10H2,1-2H3