7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-glyceryl-3-methyl-8-pyrrolidino-xanthine Formula: C13H19N5O4 MolecularWeight: 309.32106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(CO)O

InChI

InChI=1S/C13H19N5O4/c1-16-10-9(11(21)15-13(16)22)18(6-8(20)7-19)12(14-10)17-4-2-3-5-17/h8,19-20H,2-7H2,1H3,(H,15,21,22)