HMX
Summary
| Name: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide |
| Synonyms: | HMA |
| Formula: | C12 H18 Cl N7 O |
| Formal charge: | 0 |
| Formula weight: | 311.771 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21) |
| InChIKey | InChI | 1.03 | RQQJJXVETXFINY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 |
| SMILES | CACTVS | 3.385 | NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl |
