L0S
Summary
| Name: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
| Synonyms: | A-232 |
| Formula: | C8 H19 N2 O2 P |
| Formal charge: | 0 |
| Formula weight: | 206.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-diethyl-~{N}'-[methoxy(methyl)phosphoryl]ethanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COP(/N=C(/N(CC)CC)C)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | YYUQHVXOVGFZEM-MMQHEFTJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(C)=N[P@](C)(=O)OC |
| SMILES | CACTVS | 3.385 | CCN(CC)C(C)=N[P](C)(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)/C(=N/[P@@](=O)(C)OC)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=NP(=O)(C)OC)C |
