8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-bromanyl-5-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-bromanyl-5-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-bromo-5-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-bromo-5-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-bromo-5-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-bromo-5-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C19H22BrFN6O2 MolecularWeight: 465.319383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=C(C=CC(=C4)F)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC[C@H](C3)N)CC4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C19H22BrFN6O2/c1-24-16-15(17(28)25(2)19(24)29)27(9-11-8-12(21)5-6-14(11)20)18(23-16)26-7-3-4-13(22)10-26/h5-6,8,13H,3-4,7,9-10,22H2,1-2H3/t13-/m1/s1