| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]c3c(OCC(C)C)cccc3c2nc1cc(c(Cl)cc1n2)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)COc1cccc(c1[O-])c2[nH]c3cc(Cl)c(cc3n2)C(N)=[NH2+] |
| SMILES | CACTVS | 3.341 | CC(C)COc1cccc(c1[O-])c2[nH]c3cc(Cl)c(cc3n2)C(N)=[NH2+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | RTSLVPMQUZXPBZ-UHFFFAOYSA-N |
