AC1LTIWC
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2H-tetrazol-5-ylmethylsulfanyl)purine-2,6-dione
Also Known As: CBKinase1_010138|CBKinase1_022538|AB00391306-08|BRD-K48356674-001-01-8|A3693/0156713|7-[(2-Fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(2H-tetrazol-5-ylmethyl)thio]-1H-purine-2,6-dione|7-(2-fluorobenzyl)-1,3-dimethyl-8-[(1H-tetrazol-5-ylmethyl)thio]-3,7-dihydro-1H-purine-2,6-dione|7-((2-Fluorophenyl)methyl)-3,7-dihydro-1,3-dimethyl-8-((2H-tetrazol-5-ylmethyl)thio)-1H-purine-2,6-dione|7-(2-fluorobenzyl)-1,3-dimethyl-8-[(1H-tetrazol-5-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2H-tetrazol-5-ylmethylsulfanyl)purine-2,6-dione|7-[(2-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-8-{[(1H-1,2,3,4-TETRAZOL-5-YL)METHYL]SULFANYL}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C16H15FN8O2S |
|---|---|
| Molecular Weight | 402.10226 g/mol |
| LogP | 0.4265 |
| Topological Polar Surface Area | 116.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.10226 |
| Monoisotopic Mass | 402.10226 |
| Heavy Atoms | 28 |
| Complexity | 1274.5195 |
Chemical Identifiers
| CAS Number | 704875-05-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NNN=N3)CC4=CC=CC=C4F |
Product Overview
AC1LTIWC (CAS 704875-05-8), with molecular formula C16H15FN8O2S and molecular weight 402.10226 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2H-tetrazol-5-ylmethylsulfanyl)purine-2,6-dione.