Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1n3c(c(c2nc4ccccc4nc23)C(=O)NCCCOCC)N |
InChI | InChI | 1.03 | InChI=1S/C22H22ClN5O2/c1-2-30-13-7-12-25-22(29)18-19-21(27-16-10-5-4-9-15(16)26-19)28(20(18)24)17-11-6-3-8-14(17)23/h3-6,8-11H,2,7,12-13,24H2,1H3,(H,25,29) |
InChIKey | InChI | 1.03 | JFHMDUNXLJNQOU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOCCCNC(=O)c1c(N)n(c2ccccc2Cl)c3nc4ccccc4nc13 |
SMILES | CACTVS | 3.385 | CCOCCCNC(=O)c1c(N)n(c2ccccc2Cl)c3nc4ccccc4nc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl |