7-[2,3-bis(oxidanyl)propyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-glyceryl-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C12H19N5O5 MolecularWeight: 313.30976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O5/c1-15-9-8(10(21)16(2)12(15)22)17(5-7(20)6-19)11(14-9)13-3-4-18/h7,18-20H,3-6H2,1-2H3,(H,13,14)