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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1-(2-dimethylaminoethyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1-(2-dimethylaminoethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1-(2-dimethylaminoethyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1-(2-dimethylaminoethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(2-dimethylaminoethyl)-7-glyceryl-3-methyl-xanthine Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O4/c1-15(2)4-5-18-12(21)10-11(16(3)13(18)22)14-8-17(10)6-9(20)7-19/h8-9,19-20H,4-7H2,1-3H3