| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)CCNc2nc4c(n2)cc3c(N=C(N)NC3=O)c4 |
| InChI | InChI | 1.03 | InChI=1S/C18H15N7O/c19-9-11-3-1-10(2-4-11)5-6-21-18-23-14-7-12-13(8-15(14)24-18)22-17(20)25-16(12)26/h1-4,7-8H,5-6H2,(H2,21,23,24)(H3,20,22,25,26) |
| InChIKey | InChI | 1.03 | NYFZULJQMISTPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2cc3nc(NCCc4ccc(cc4)C#N)[nH]c3cc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2cc3nc(NCCc4ccc(cc4)C#N)[nH]c3cc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N |
