AMR
Summary
| Name: | 3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE |
| Synonyms: | AMILORIDE |
| Formula: | C6 H8 Cl N7 O |
| Formal charge: | 0 |
| Formula weight: | 229.627 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 3,5-diamino-N-carbamimidoyl-6-chloro-pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1nc(C(=O)NC(=[N@H])N)c(nc1N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NC(=O)c1nc(Cl)c(N)nc1N |
| SMILES | CACTVS | 3.341 | NC(=N)NC(=O)c1nc(Cl)c(N)nc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) |
| InChIKey | InChI | 1.03 | XSDQTOBWRPYKKA-UHFFFAOYSA-N |
