ESV
Summary
| Name: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine |
| Synonyms: | P1075 |
| Formula: | C12 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 231.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | HKZNADVVGXKQDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(C)(C)N=C(NC#N)Nc1cccnc1 |
| SMILES | CACTVS | 3.385 | CCC(C)(C)N=C(NC#N)Nc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(C)(C)/N=C(\NC#N)/Nc1cccnc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)(C)N=C(NC#N)Nc1cccnc1 |
