7-[2,3-bis(oxidanyl)propyl]-3,7-dimethyl-purin-7-ium-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-3,7-dimethyl-purin-7-ium-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-3,7-dimethyl-purin-7-ium-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-3,7-dimethylpurin-7-ium-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-3,7-dimethylpurin-7-ium-2,6-dione Traditional Name: 7-glyceryl-3,7-dimethyl-purin-7-ium-2,6-quinone Formula: C10H15N4O4+ MolecularWeight: 255.2505

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CC(CO)O

InChI

InChI=1S/C10H14N4O4/c1-13-8-7(9(17)12-10(13)18)14(2,5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/p+1