Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N(c1ccccc1C)C(=Nc3cccc(c23)C)Cn5nc(C#CCO)c4c(ncnc45)N |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(C#CCO)c5c(N)ncnc45 |
SMILES | CACTVS | 3.352 | Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(C#CCO)c5c(N)ncnc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N |
InChI | InChI | 1.03 | InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28) |
InChIKey | InChI | 1.03 | GJBJSDBBRWPDBE-UHFFFAOYSA-N |