Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1CN(c2c(N1)cc(OC)cc2)c4c3c(nccc3)nc(n4)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-10-3-2-6-18-14(10)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23) |
InChIKey | InChI | 1.03 | ONXVMYQYSMSLML-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ncccc34 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ncccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl |