| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1=C3C(N=C1Sc2ccc(cc2C)C)=C(N=CN3CCCC#C)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(Sc2nc3n(CCCC#C)cnc(N)c3n2)c(C)c1 |
| SMILES | CACTVS | 3.370 | Cc1ccc(Sc2nc3n(CCCC#C)cnc(N)c3n2)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N |
| InChI | InChI | 1.03 | InChI=1S/C18H19N5S/c1-4-5-6-9-23-11-20-16(19)15-17(23)22-18(21-15)24-14-8-7-12(2)10-13(14)3/h1,7-8,10-11H,5-6,9,19H2,2-3H3 |
| InChIKey | InChI | 1.03 | IIQUFGUOGYICIJ-UHFFFAOYSA-N |
