A1H0S
Summary
| Name: | 4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine |
| Synonyms: | Mecillinam, bound form |
| Formula: | C13 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 243.308 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17N5/c1-7-5-9-10(6-8(7)2)18-12(15-9)16-11(14)17-13(18,3)4/h5-6H,1-4H3,(H3,14,15,16,17) |
| InChIKey | InChI | 1.06 | LEFFLPPLRAOVAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2NC3=NC(=NC(C)(C)N3c2cc1C)N |
| SMILES | CACTVS | 3.385 | Cc1cc2NC3=NC(=NC(C)(C)N3c2cc1C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cc1C)N3C(=NC(=NC3(C)C)N)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cc1C)N3C(=NC(=NC3(C)C)N)N2 |
