7-[2,3-bis(oxidanyl)propyl]-8-bromanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-8-bromanyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(2,3-dihydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-glyceryl-3-methyl-xanthine Formula: C9H11BrN4O4 MolecularWeight: 319.11204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(CO)O

InChI

InChI=1S/C9H11BrN4O4/c1-13-6-5(7(17)12-9(13)18)14(8(10)11-6)2-4(16)3-15/h4,15-16H,2-3H2,1H3,(H,12,17,18)