8JA
Summary
| Name: | N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide |
| Formula: | C12 H18 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 298.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]-~{N}'-oxidanyl-octanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18N4O5/c17-9(5-3-1-2-4-6-10(18)16-21)14-8-7-13-12(20)15-11(8)19/h7,21H,1-6H2,(H,14,17)(H,16,18)(H2,13,15,19,20) |
| InChIKey | InChI | 1.03 | XGGQCNFMILXRKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)NC(=O)N1)NC(=O)CCCCCCC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)NC(=O)N1)NC(=O)CCCCCCC(=O)NO |
