RefChem:1064856
[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate
Also Known As: 2-Thiophenecarboxylate de 7-(2,3-dihydroxypropyl)theophylline [French]|2-Thiophenecarboxylate de 7-(2,3-dihydroxypropyl)theophylline|2-Thiophenecarboxylic acid, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester|3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propane-1,2-diyl dithiophene-2-carboxylate|[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate|[1-(1,3-Dimethyl-2,6-dioxopurin-7-yl)-3-(thiophene-2-carbonyloxy)propan-2-yl] thiophene-2-carboxylate|2-Thiophenecarboxylicacid,1-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediylester (9CI)
| Molecular Formula | C20H18N4O6S2 |
|---|---|
| Molecular Weight | 474.06677 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.06677 |
| Monoisotopic Mass | 474.06677 |
| Heavy Atoms | 32 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 4267-75-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CC=CS3)OC(=O)C4=CC=CS4 |
| InChIKey | IIEXVOUMGZOGQU-UHFFFAOYSA-N |
Product Overview
RefChem:1064856 (CAS 4267-75-8), with molecular formula C20H18N4O6S2 and molecular weight 474.06677 g/mol. IUPAC: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate.