C21H18ClN7O4
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(4-nitrobenzylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione|7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
CAS: 536719-25-2
| Molecular Formula | C21H18ClN7O4 |
|---|---|
| Molecular Weight | 467.11087 g/mol |
| LogP | 2.4896 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.11087 |
| Monoisotopic Mass | 467.11087 |
| Heavy Atoms | 33 |
| Complexity | 1499.636 |
Chemical Identifiers
| CAS Number | 536719-25-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl |
Product Overview
C21H18ClN7O4 (CAS 536719-25-2), with molecular formula C21H18ClN7O4 and molecular weight 467.11087 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]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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