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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=NC2=C(N1CC(CO)O)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(NC1=NC2=C(N1CC(CO)O)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C12H19N5O5/c1-6(19)13-11-14-9-8(17(11)4-7(20)5-18)10(21)16(3)12(22)15(9)2/h6-7,18-20H,4-5H2,1-3H3,(H,13,14)