7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione Traditional Name: 7-glyceryl-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-quinone Formula: C10H16N5O4+ MolecularWeight: 270.26514

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC(CO)O

Isomeric SMILES

CNC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC(CO)O

InChI

InChI=1S/C10H15N5O4/c1-11-9-12-7-6(15(9)3-5(17)4-16)8(18)13-10(19)14(7)2/h5,16-17H,3-4H2,1-2H3,(H2,11,12,13,18,19)/p+1