7-[2,3-bis(oxidanyl)propyl]-8-chloranyl-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-8-chloranyl-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-chloro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-chloro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-chloro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-chloro-7-glyceryl-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C10H14ClN4O4+ MolecularWeight: 289.69556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC(CO)O

InChI

InChI=1S/C10H13ClN4O4/c1-13-7-6(8(18)14(2)10(13)19)15(9(11)12-7)3-5(17)4-16/h5,16-17H,3-4H2,1-2H3/p+1