AC1NSIMU
5-cyclopentylsulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: SR-01000007953-1|F0654-0269|5-(cyclopentylthio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione|5-cyclopentylsulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione|5-(cyclopentylsulfanyl)-1,3-dimethyl-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS: 863002-41-9
| Molecular Formula | C16H22N4O2S |
|---|---|
| Molecular Weight | 334.14636 g/mol |
| LogP | 2.0144 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.14636 |
| Monoisotopic Mass | 334.14636 |
| Heavy Atoms | 23 |
| Complexity | 849.74976 |
Chemical Identifiers
| CAS Number | 863002-41-9 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)SC3CCCC3)C(=O)N(C(=O)N2C)C |
Product Overview
AC1NSIMU (CAS 863002-41-9), with molecular formula C16H22N4O2S and molecular weight 334.14636 g/mol. IUPAC: 5-cyclopentylsulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-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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