Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)occ2\C=C(\c3ccccc3OC)C)N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccccc1\C(C)=C\c2coc3nc(N)nc(N)c23 |
SMILES | CACTVS | 3.370 | COc1ccccc1C(C)=Cc2coc3nc(N)nc(N)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC |
InChI | InChI | 1.03 | InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+ |
InChIKey | InChI | 1.03 | JXICVPBZQSPDOK-VQHVLOKHSA-N |