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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-8-(butylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-glyceryl-1,3-dimethyl-xanthine Formula: C14H23N5O4 MolecularWeight: 325.36352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(CO)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC(CO)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H23N5O4/c1-4-5-6-15-13-16-11-10(19(13)7-9(21)8-20)12(22)18(3)14(23)17(11)2/h9,20-21H,4-8H2,1-3H3,(H,15,16)