Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc12)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C17H17ClN6O3/c18-12-9-19-3-1-13(12)20-14(25)10-24-4-2-11-15(24)21-17(22-16(11)26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,19,20,25)(H,21,22,26) |
InChIKey | InChI | 1.03 | UBZJGLCPAAWTIL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnccc1NC(=O)Cn2ccc3C(=O)NC(=Nc23)N4CCOCC4 |
SMILES | CACTVS | 3.385 | Clc1cnccc1NC(=O)Cn2ccc3C(=O)NC(=Nc23)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc(c1NC(=O)Cn2ccc3c2N=C(NC3=O)N4CCOCC4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1NC(=O)Cn2ccc3c2N=C(NC3=O)N4CCOCC4)Cl |