| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC1CCCN(C1)c1ncnc(N)c1Cl |
| InChI | InChI | 1.06 | InChI=1S/C12H17ClN4O2/c13-10-11(14)15-7-16-12(10)17-5-1-2-8(6-17)3-4-9(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | JURSYTNKCJMCTM-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc(N2CCC[C@H](CCC(O)=O)C2)c1Cl |
| SMILES | CACTVS | 3.385 | Nc1ncnc(N2CCC[CH](CCC(O)=O)C2)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c(c(n1)N2CCC[C@@H](C2)CCC(=O)O)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c(c(n1)N2CCCC(C2)CCC(=O)O)Cl)N |
