AC1NKCNA
methyl 3-[6-(4-methoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
Also Known As: methyl 3-[8-(4-methoxyphenyl)-1,6,7-trimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate|methyl 3-(8-(4-methoxyphenyl)-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate|methyl 3-[6-(4-methoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
CAS: 896592-83-9
| Molecular Formula | C21H23N5O5 |
|---|---|
| Molecular Weight | 425.16992 g/mol |
| LogP | 1.32714 |
| Topological Polar Surface Area | 101.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.16992 |
| Monoisotopic Mass | 425.16992 |
| Heavy Atoms | 31 |
| Complexity | 1436.1008 |
Chemical Identifiers
| CAS Number | 896592-83-9 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)OC)N(C(=O)N(C3=O)CCC(=O)OC)C)C |
Product Overview
AC1NKCNA (CAS 896592-83-9), with molecular formula C21H23N5O5 and molecular weight 425.16992 g/mol. IUPAC: methyl 3-[6-(4-methoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate.
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.
View MSDS →
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