H33
Summary
| Name: | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| Formula: | C7 H7 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 214.609 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| OpenEye OEToolkits | 1.5.0 | 8-chloro-1,3-dimethyl-7H-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N(c1nc(Cl)nc1C(=O)N2C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O |
| SMILES | CACTVS | 3.341 | CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
| InChIKey | InChI | 1.03 | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
