Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1OC\C=C(/C)C)Nc2nc(OC)ccn2 |
InChI | InChI | 1.03 | InChI=1S/C17H18N4O2/c1-12(2)7-9-23-15-10-14(5-4-13(15)11-18)20-17-19-8-6-16(21-17)22-3/h4-8,10H,9H2,1-3H3,(H,19,20,21) |
InChIKey | InChI | 1.03 | VFPQRVJYEMSZLR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccnc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1 |
SMILES | CACTVS | 3.370 | COc1ccnc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C |