Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)occ2\C=C(\c3ccccc3OC)CCCC)N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCC\C(=C/c1coc2nc(N)nc(N)c12)c3ccccc3OC |
SMILES | CACTVS | 3.370 | CCCCC(=Cc1coc2nc(N)nc(N)c12)c3ccccc3OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10+ |
InChIKey | InChI | 1.03 | OJEFVGFDNJBOHB-ZRDIBKRKSA-N |