Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)occ2/C=C(\c3ccccc3OC)C(C)C)N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccccc1\C(=C/c2coc3nc(N)nc(N)c23)C(C)C |
SMILES | CACTVS | 3.370 | COc1ccccc1C(=Cc2coc3nc(N)nc(N)c23)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC |
InChI | InChI | 1.03 | InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8- |
InChIKey | InChI | 1.03 | ZBHMLBFDTQKTKI-JYRVWZFOSA-N |