6GU
Summary
| Name: | 6-chloroguanine |
| Synonyms: | 6-chloro-9H-purin-2-amine |
| Formula: | C5 H4 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 169.572 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-chloro-9H-purin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 6-chloro-9H-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2nc(nc1c2ncn1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(Cl)c2nc[nH]c2n1 |
| SMILES | CACTVS | 3.341 | Nc1nc(Cl)c2nc[nH]c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(nc(n2)N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(nc(n2)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | RYYIULNRIVUMTQ-UHFFFAOYSA-N |
