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

Systemtic Name: 8-[[(1S,2R)-2-azanylcyclohexyl]amino]-7-[(2-bromanyl-5-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[(2-bromo-5-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[(2-bromo-5-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[(2-bromo-5-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(2-bromo-5-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C20H24BrFN6O2 MolecularWeight: 479.345963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3N)CC4=C(C=CC(=C4)F)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@H]3CCCC[C@H]3N)CC4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C20H24BrFN6O2/c1-26-17-16(18(29)27(2)20(26)30)28(10-11-9-12(22)7-8-13(11)21)19(25-17)24-15-6-4-3-5-14(15)23/h7-9,14-15H,3-6,10,23H2,1-2H3,(H,24,25)/t14-,15+/m1/s1