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| IUPAC Name: | 2-benzylsulfanyl-6-chloro-7H-purine |
| Description: | 2-Benzylthio-6-chloropurine is found in studies of 2-(benzylsulfanyl)-6-chloro-9-isopropylpurine and its uses as a valuable intermediate in the synthesis of diaminopurine cyclin dependent kinase (CDK) inhibitors. |
| Molecular Weight: | 276.74 |
| Molecular Formula: | C12H9ClN4S |
| Canonical SMILES: | C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)NC=N3 |
| InChI: | InChI=1S/C12H9ClN4S/c13-10-9-11(15-7-14-9)17-12(16-10)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,16,17) |
| InChI Key: | VBPLCCYCWKFWAJ-UHFFFAOYSA-N |
| References: | Taddei, D., et al. Eur. J. Org. Chem., 939-947 (2005). |
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