Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c1cccnc1c(N2c3c(NC(=O)C2)cc(OC)cc3)nc4Cl |
InChI | InChI | 1.03 | InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-14-10(3-2-6-18-14)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23) |
InChIKey | InChI | 1.03 | LHARPASIDWIFEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4cccnc34 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4cccnc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl |