1-[2,3-bis(oxidanyl)propyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-(2,3-dihydroxypropyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(2,3-dihydroxypropyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(2,3-dihydroxypropyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-glyceryl-7H-xanthine Formula: C8H10N4O4 MolecularWeight: 226.1894

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C(=O)N2)CC(CO)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C(=O)N2)CC(CO)O

InChI

InChI=1S/C8H10N4O4/c13-2-4(14)1-12-7(15)5-6(10-3-9-5)11-8(12)16/h3-4,13-14H,1-2H2,(H,9,10)(H,11,16)