Y77
Summary
| Name: | [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate |
| Formula: | C6 H13 N3 O4 P |
| Formal charge: | 0 |
| Formula weight: | 222.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3- |
| InChIKey | InChI | 1.03 | SCRLLCVSAUXFQL-UTCJRWHESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(CCN=[N]=N)=C\CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(CCN=[N]=N)=CCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/COP(=O)(O)O)/CCN=[N]=N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCOP(=O)(O)O)CCN=[N]=N |
