A1H0W
Summary
| Name: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine |
| Synonyms: | O-PHOSPHONO-D-THREONINE |
| Formula: | C9 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 205.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14) |
| InChIKey | InChI | 1.06 | UNAQOMVIYOSKDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]c(NC(N)=N)nc2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]c(NC(N)=N)nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/Nc1[nH]c2ccc(cc2n1)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)nc([nH]2)NC(=N)N |
