| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3cc1nc(nc1cc3N=C(N)N2)NCCc4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C17H16N6O/c18-16-20-12-9-14-13(8-11(12)15(24)23-16)21-17(22-14)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,19,21,22)(H3,18,20,23,24) |
| InChIKey | InChI | 1.03 | IGMWKNNADHYQOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2cc3nc(NCCc4ccccc4)[nH]c3cc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2cc3nc(NCCc4ccccc4)[nH]c3cc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N |
