Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27) |
InChIKey | InChI | 1.06 | VUIRVWPJNKZOSS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccnn4)n2 |
SMILES | CACTVS | 3.385 | CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccnn4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(nc1NCc2ccc(cc2)n3ccnn3)c4ccccc4C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(nc1NCc2ccc(cc2)n3ccnn3)c4ccccc4C(C)C |