7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione
8-chloro-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: Oprea1_574494|Oprea1_823442|7-allyl-8-chlorotheophylline|BAS 02549762|SR-01000461909-1|8-chloro-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione|7-allyl-8-chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione|8-chloro-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C10H11ClN4O2 |
|---|---|
| Molecular Weight | 254.05705 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.05705 |
| Monoisotopic Mass | 254.05705 |
| Heavy Atoms | 17 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 335206-67-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC=C |
| InChIKey | GURIFJBXOUVHNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione (CAS 335206-67-2), with molecular formula C10H11ClN4O2 and molecular weight 254.05705 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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