1-[2,3-bis(oxidanyl)propyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-(2,3-dihydroxypropyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(2,3-dihydroxypropyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(2,3-dihydroxypropyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 1-glyceryl-3-methyl-7H-purine-2,6-quinone Formula: C9H12N4O4 MolecularWeight: 240.21598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(CO)O)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(CO)O)NC=N2

InChI

InChI=1S/C9H12N4O4/c1-12-7-6(10-4-11-7)8(16)13(9(12)17)2-5(15)3-14/h4-5,14-15H,2-3H2,1H3,(H,10,11)