Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Clc4c(OCCN1CCCC1)cc(c2nc(nc3sc(cc23)C(=O)NCC)N)c(Cl)c4 |
SMILES_CANONICAL | CACTVS | 3.352 | CCNC(=O)c1sc2nc(N)nc(c3cc(OCCN4CCCC4)c(Cl)cc3Cl)c2c1 |
SMILES | CACTVS | 3.352 | CCNC(=O)c1sc2nc(N)nc(c3cc(OCCN4CCCC4)c(Cl)cc3Cl)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27) |
InChIKey | InChI | 1.03 | WJUNQSYQHHIVFX-UHFFFAOYSA-N |