Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2n1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H21N5/c1-14-15(2)25-20(21-14)12-10-17(23-25)9-11-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,10,12-13H,9,11H2,1-3H3 |
InChIKey | InChI | 1.03 | CJQVUNRRLHJYNZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3nc(C)c(C)n3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3nc(C)c(C)n3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)ccc(n2)CCc3nc(cn3C)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)ccc(n2)CCc3nc(cn3C)c4ccccc4)C |