OKL
Summary
| Name: | 8-chloranyl-3-pentyl-7H-purine-2,6-dione |
| Formula: | C10 H13 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.689 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-chloranyl-3-pentyl-7~{H}-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17) |
| InChIKey | InChI | 1.06 | CGAMDQCXAAOFSR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12 |
| SMILES | CACTVS | 3.385 | CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O |
