9-[2,3-bis(oxidanyl)propyl]-8-bromanyl-3H-purin-6-one

Systemtic Name: 9-[2,3-bis(oxidanyl)propyl]-8-bromanyl-3H-purin-6-one Openeye Name: 8-bromo-9-(2,3-dihydroxypropyl)-3H-purin-6-one CAS Name: 8-bromo-9-(2,3-dihydroxypropyl)-3H-purin-6-one IUPAC Name: 8-bromo-9-(2,3-dihydroxypropyl)-3H-purin-6-one Traditional Name: 8-bromo-9-glyceryl-3H-purin-6-one Formula: C8H9BrN4O3 MolecularWeight: 289.08606

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C(=N2)Br)CC(CO)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C(=N2)Br)CC(CO)O

InChI

InChI=1S/C8H9BrN4O3/c9-8-12-5-6(10-3-11-7(5)16)13(8)1-4(15)2-14/h3-4,14-15H,1-2H2,(H,10,11,16)