AC1OC1IB
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
Also Known As: (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione|(8E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-4-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione|1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(2-(pyridin-4-ylmethylidene)hydrazinyl)purine-2,6-dione|1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
| Molecular Formula | C20H18ClN7O2 |
|---|---|
| Molecular Weight | 423.12106 g/mol |
| LogP | 1.9764 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12106 |
| Monoisotopic Mass | 423.12106 |
| Heavy Atoms | 30 |
| Complexity | 1369.9219 |
Chemical Identifiers
| CAS Number | 716331-91-8 |
|---|---|
| SMILES | CN1C2=C(N=C1N/N=C/C3=CC=NC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C |
Product Overview
AC1OC1IB (CAS 716331-91-8), with molecular formula C20H18ClN7O2 and molecular weight 423.12106 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione.