Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC[C@H]=C)c1csc(n1)C(CCCN/C(N)=N)N |
InChI | InChI | 1.03 | InChI=1S/C12H19N5O2S/c1-2-6-19-11(18)9-7-20-10(17-9)8(13)4-3-5-16-12(14)15/h2,7-8H,1,3-6,13H2,(H4,14,15,16)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | QJCBJWZIVFJHDU-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(N)=N)c1scc(n1)C(=O)OCC=C |
SMILES | CACTVS | 3.385 | N[CH](CCCNC(N)=N)c1scc(n1)C(=O)OCC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N |
SMILES | OpenEye OEToolkits | 1.9.2 | C=CCOC(=O)c1csc(n1)C(CCCNC(=N)N)N |