種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CNC(=O)c1n(C)ncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CCOC1 |
InChI | InChI | 1.03 | InChI=1S/C19H21N9O3/c1-20-19(30)16-14(8-24-28(16)2)27-18(29)15-17(25-12-5-21-10-22-6-12)23-7-13(26-15)11-3-4-31-9-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,30)(H,23,25)(H,27,29) |
InChIKey | InChI | 1.03 | RSBKLGMFVRXKKC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1n(C)ncc1NC(=O)c2nc(cnc2Nc3cncnc3)[C@H]4CCOC4 |
SMILES | CACTVS | 3.385 | CNC(=O)c1n(C)ncc1NC(=O)c2nc(cnc2Nc3cncnc3)[CH]4CCOC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)[C@H]3CCOC3)Nc4cncnc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)C3CCOC3)Nc4cncnc4 |