AC1MKSMM
9-(3-chloro-2-methylphenyl)-3-(2-ethoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521693|SR-01000142625-1|F2013-0855|9-(3-chloro-2-methylphenyl)-3-(2-ethoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|9-(3-chloro-2-methylphenyl)-3-(2-ethoxyethyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS: 876901-02-9
| Molecular Formula | C21H26ClN5O3 |
|---|---|
| Molecular Weight | 431.17242 g/mol |
| LogP | 2.68282 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.17242 |
| Monoisotopic Mass | 431.17242 |
| Heavy Atoms | 30 |
| Complexity | 1226.0756 |
Chemical Identifiers
| CAS Number | 876901-02-9 |
|---|---|
| SMILES | CCOCCN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C(=CC=C4)Cl)C)C)N(C1=O)C |
Product Overview
AC1MKSMM (CAS 876901-02-9), with molecular formula C21H26ClN5O3 and molecular weight 431.17242 g/mol. IUPAC: 9-(3-chloro-2-methylphenyl)-3-(2-ethoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]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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