| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(c3cnc(nc3N(C1CC)C2CCCC2)c4cccn4)C |
| InChI | InChI | 1.03 | InChI=1S/C18H23N5O/c1-3-14-18(24)22(2)15-11-20-16(13-9-6-10-19-13)21-17(15)23(14)12-7-4-5-8-12/h6,9-12,14,19H,3-5,7-8H2,1-2H3/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | DBHNCRPFJNHKDP-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)c4[nH]ccc4 |
| SMILES | CACTVS | 3.370 | CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)c4[nH]ccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C |
