Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3c(OCCN(CC)CC)cc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(Cl)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | CCNC(=O)c1sc2nc(N)nc(c3cc(OCCN(CC)CC)c(Cl)cc3Cl)c2c1 |
SMILES | CACTVS | 3.370 | CCNC(=O)c1sc2nc(N)nc(c3cc(OCCN(CC)CC)c(Cl)cc3Cl)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C21H25Cl2N5O2S/c1-4-25-19(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(5-2)6-3/h9-11H,4-8H2,1-3H3,(H,25,29)(H2,24,26,27) |
InChIKey | InChI | 1.03 | KQRDVNUCOWRFLN-UHFFFAOYSA-N |