Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1C#Cc1ccc2nc(C)c(CO)n2n1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H17N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,13H2,1-2H3 |
InChIKey | InChI | 1.03 | DJYHFAKYAJKFJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1C#Cc2ccc3nc(C)c(CO)n3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1C#Cc2ccc3nc(C)c(CO)n3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)ccc(n2)C#Cc3nc(cn3C)c4ccccc4)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)ccc(n2)C#Cc3nc(cn3C)c4ccccc4)CO |