| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=N)C(=O)c1sc2ccccc2n1 |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=N)C(=O)c1sc2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)nc(s2)C(=O)C(CCCNC(=N)N)N |
| InChI | InChI | 1.03 | InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | MAJHCCQPIDXPAN-QMMMGPOBSA-N |
