Obsolete: ON8
Summary
Name: | 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine |
Formula: | C5 H12 N4 O2 |
Formal charge: | 0 |
Formula weight: | 160.174 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | UPVLEVGRMHPBJM-BYPYZUCNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCONC(N)=N)C=O |
SMILES | CACTVS | 3.385 | N[CH](CCONC(N)=N)C=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NOCC[C@@H](C=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | C(CONC(=N)N)C(C=O)N |