7-(2-Chloro-benzyl)-3-methyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Also Known As: Oprea1_113208|Oprea1_462603|NCGC00286343-01|BAS 00620052|AB00372428-08|AG-690/11570130|7-(2-Chloro-benzyl)-3-methyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione|F0381-2983|7-(2-chlorobenzyl)-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione|7-(2-chlorobenzyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione|7-[(2-chlorophenyl)methyl]-3-methyl-8-(methylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H13ClN4O2S |
|---|---|
| Molecular Weight | 336.04477 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.04477 |
| Monoisotopic Mass | 336.04477 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 313380-53-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC3=CC=CC=C3Cl |
| InChIKey | NIOIYFXNDLMKTL-UHFFFAOYSA-N |
Product Overview
7-(2-Chloro-benzyl)-3-methyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 313380-53-9), with molecular formula C14H13ClN4O2S and molecular weight 336.04477 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-methylsulfanylpurine-2,6-dione.
7-(2-Chloro-benzyl)-3-methyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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