Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C |
InChI | InChI | 1.03 | InChI=1S/C18H15ClN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26) |
InChIKey | InChI | 1.03 | GWSNRQDCTSDALC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)Cl |