ES4
Summary
| Name: | 6-chloro-9H-purine |
| Formula: | C5 H3 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 154.557 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 6-chloro-9H-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Clc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.352 | Clc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1[nH]c2c(n1)c(ncn2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1[nH]c2c(n1)c(ncn2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) |
| InChIKey | InChI | 1.03 | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
