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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(CO)O

InChI

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