| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1=CC(=CNC1=O)c2c(scc2)c4cc(NC3CC3)n5c(n4)c(cn5)C#N |
| InChI | InChI | 1.03 | InChI=1S/C19H14N6OS/c20-8-12-10-22-25-16(23-13-2-3-13)7-15(24-19(12)25)18-14(5-6-27-18)11-1-4-17(26)21-9-11/h1,4-7,9-10,13,23H,2-3H2,(H,21,26) |
| InChIKey | InChI | 1.03 | LYVQDPRPJDDETN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(C=C1)c2ccsc2c3cc(NC4CC4)n5ncc(C#N)c5n3 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(C=C1)c2ccsc2c3cc(NC4CC4)n5ncc(C#N)c5n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 |
