| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]c3c(OCC(C)C)cccc3c2nc1cc(ccc1n2)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(N)=[NH2+] |
| SMILES | CACTVS | 3.341 | CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(N)=[NH2+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22) |
| InChIKey | InChI | 1.03 | HSHVHNIOQTZSOQ-UHFFFAOYSA-N |
