Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)occ2\C=C(\c3ccccc3OC)C(C)CC)N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](C)C(=C/c1coc2nc(N)nc(N)c12)\c3ccccc3OC |
SMILES | CACTVS | 3.370 | CC[CH](C)C(=Cc1coc2nc(N)nc(N)c12)c3ccccc3OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C)C(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9+/t11-/m1/s1 |
InChIKey | InChI | 1.03 | GGNUJBNONVTLHE-ZECSTPGPSA-N |