Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | ClC4=CC(c2nc(nn2c1ncccc1C)c3ccccc3)=CNC4=O |
InChI | InChI | 1.03 | InChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26) |
InChIKey | InChI | 1.03 | NVMAHFDIMUFGEC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccnc1n2nc(nc2C3=CNC(=O)C(=C3)Cl)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1cccnc1n2nc(nc2C3=CNC(=O)C(=C3)Cl)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl |