Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(oc1)c4nc3c(cnc(Nc2ccccc2OC)c3)c4 |
InChI | InChI | 1.03 | InChI=1S/C17H14N4O2/c1-22-15-5-3-2-4-12(15)21-17-7-13-11(8-19-17)6-14(20-13)16-9-18-10-23-16/h2-10,20H,1H3,(H,19,21) |
InChIKey | InChI | 1.03 | OYEYZLGQJNQHMY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1Nc2cc3[nH]c(cc3cn2)c4ocnc4 |
SMILES | CACTVS | 3.385 | COc1ccccc1Nc2cc3[nH]c(cc3cn2)c4ocnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2 |