C21H18ClFN6O2
8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: (E)-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|2-CHLORO-6-FLUOROBENZALDEHYDE [3-METHYL-7-(4-METHYLBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE|8-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H18ClFN6O2 |
|---|---|
| Molecular Weight | 440.1164 g/mol |
| LogP | 3.01852 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1164 |
| Monoisotopic Mass | 440.1164 |
| Heavy Atoms | 31 |
| Complexity | 1398.8171 |
Chemical Identifiers
| CAS Number | 536718-95-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C/C4=C(C=CC=C4Cl)F)N(C(=O)NC3=O)C |
Product Overview
C21H18ClFN6O2 (CAS 536718-95-3), with molecular formula C21H18ClFN6O2 and molecular weight 440.1164 g/mol. IUPAC: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
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