C18H18N6O5
methyl 4-[(E)-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]hydrazinylidene]methyl]benzoate
Also Known As: methyl 4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl]benzoate|Methyl 4-[[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]hydrazinylidene]methyl]benzoate|(E)-methyl 4-((2-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl)hydrazono)methyl)benzoate|methyl 4-((E)-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazono}methyl)benzoate|methyl 4-{(1E)-2-[2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))acetylam ino]-2-azavinyl}benzoate
| Molecular Formula | C18H18N6O5 |
|---|---|
| Molecular Weight | 398.13388 g/mol |
| LogP | -0.6294 |
| Topological Polar Surface Area | 129.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13388 |
| Monoisotopic Mass | 398.13388 |
| Heavy Atoms | 29 |
| Complexity | 1232.5907 |
Chemical Identifiers
| CAS Number | 497864-75-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC |
Product Overview
C18H18N6O5 (CAS 497864-75-2), with molecular formula C18H18N6O5 and molecular weight 398.13388 g/mol. IUPAC: methyl 4-[(E)-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]hydrazinylidene]methyl]benzoate.