7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-purine-2,6-dione; thiophene-2-carboxylic acid

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-purine-2,6-dione; thiophene-2-carboxylic acid Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione; thiophene-2-carboxylic acid CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione; 2-thiophenecarboxylic acid IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione; thiophene-2-carboxylic acid Traditional Name: 7-glyceryl-1,3-dimethyl-xanthine; 2-thenoic acid Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O.C1=CSC(=C1)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O.C1=CSC(=C1)C(=O)O

InChI

InChI=1S/C10H14N4O4.C5H4O2S/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15;6-5(7)4-2-1-3-8-4/h5-6,15-16H,3-4H2,1-2H3;1-3H,(H,6,7)