AC1MMVQU
7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: Oprea1_141972|Oprea1_477450|AN-212/12565463|7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione|8-mercapto-7-(2-(4-methoxyphenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
CAS: 57445-18-8
| Molecular Formula | C16H16N4O4S |
|---|---|
| Molecular Weight | 360.08923 g/mol |
| LogP | 0.98779 |
| Topological Polar Surface Area | 91.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.08923 |
| Monoisotopic Mass | 360.08923 |
| Heavy Atoms | 25 |
| Complexity | 1148.3121 |
Chemical Identifiers
| CAS Number | 57445-18-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC(=O)C3=CC=C(C=C3)OC |
Product Overview
AC1MMVQU (CAS 57445-18-8), with molecular formula C16H16N4O4S and molecular weight 360.08923 g/mol. IUPAC: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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