1-[2,3-bis(oxidanyl)propyl]-3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-bromo-1-(2,3-dihydroxypropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-bromo-1-(2,3-dihydroxypropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-bromo-1-(2,3-dihydroxypropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-bromo-1-glyceryl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C8H9BrN4O3 MolecularWeight: 289.08606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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