Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC)c1cc(c(cc1)C)Nc2ncnc3c2cnn3c4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)c4ccccc4)c1 |
SMILES | CACTVS | 3.341 | CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)c4ccccc4)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC |
InChI | InChI | 1.03 | InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25) |
InChIKey | InChI | 1.03 | OYTBZXSFNNAVKU-UHFFFAOYSA-N |