A1IOQ
Summary
| Name: | 7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione |
| Formula: | C9 H11 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.662 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.06 | QCIARNIKNKKHFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(CCCl)c2C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(CCCl)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CCCl)C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CCCl)C(=O)N(C1=O)C |
