種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1cc(C)nn1CCNC(=O)Nc1ccnn1c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C17H20N6O/c1-13-12-14(2)22(21-13)11-10-18-17(24)20-16-8-9-19-23(16)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,18,20,24) |
InChIKey | InChI | 1.03 | RCKSDRHRTDJTNW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)n(CCNC(=O)Nc2ccnn2c3ccccc3)n1 |
SMILES | CACTVS | 3.385 | Cc1cc(C)n(CCNC(=O)Nc2ccnn2c3ccccc3)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n(n1)CCNC(=O)Nc2ccnn2c3ccccc3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n(n1)CCNC(=O)Nc2ccnn2c3ccccc3)C |