| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccc2c1ncnc2N4CCC(Cc3nccs3)C4 |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5S/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(8-19)7-12-15-4-6-20-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | XUBYDFCDYPJZTA-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(C[C@H]1Cc2sccn2)c3ncnc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | C1CN(C[CH]1Cc2sccn2)c3ncnc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)Cc4nccs4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCC(C3)Cc4nccs4 |
