種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(cc(Cl)ccc1OC)c4nn(cc4NC(=O)c3c2ncccn2nc3)C |
InChI | InChI | 1.03 | InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26) |
InChIKey | InChI | 1.03 | PBBLZBUJHLNSRL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cnn4cccnc34 |
SMILES | CACTVS | 3.385 | COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cnn4cccnc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4 |