Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1nc2nc(cc(C)n2n1)C1CC1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H22N6/c1-14-12-17(16-8-9-16)23-21-24-19(25-27(14)21)10-11-20-22-18(13-26(20)2)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3 |
InChIKey | InChI | 1.03 | RFRONYIRVUVCOB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2nn3c(C)cc(nc3n2)C4CC4)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2nn3c(C)cc(nc3n2)C4CC4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C5CC5 |