Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4(c1ccc(OCC)cc1)=Nn3c(c2ccccc2OC)nnc3SC4 |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3 |
InChIKey | InChI | 1.03 | YARXQDMQMCNVMB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4OC |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC |