Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccc(C)nc1C(=O)Nc1nc2nc(cn2cc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H17N5O/c1-13-8-9-14(2)21-18(13)19(26)23-17-10-11-25-12-16(22-20(25)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24,26) |
InChIKey | InChI | 1.03 | PLVHLXWZSDKRMA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C)c(n1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1ccc(C)c(n1)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C |