AC1NEF7T
8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione
Also Known As: 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione|8-(azepan-1-yl)-3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 672935-69-2
| Molecular Formula | C18H25N7O2S2 |
|---|---|
| Molecular Weight | 435.15112 g/mol |
| LogP | 2.14602 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.15112 |
| Monoisotopic Mass | 435.15112 |
| Heavy Atoms | 29 |
| Complexity | 1105.7906 |
Chemical Identifiers
| CAS Number | 672935-69-2 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C |
Product Overview
AC1NEF7T (CAS 672935-69-2), with molecular formula C18H25N7O2S2 and molecular weight 435.15112 g/mol. IUPAC: 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]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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