8-bromanyl-9-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H20BrFN6O3 MolecularWeight: 479.302903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N3CCN(CC3)C4=CC=CC=C4F)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N3CCN(CC3)C4=CC=CC=C4F)Br

InChI

InChI=1S/C19H20BrFN6O3/c1-23-16-15(17(29)24(2)19(23)30)22-18(20)27(16)11-14(28)26-9-7-25(8-10-26)13-6-4-3-5-12(13)21/h3-6H,7-11H2,1-2H3