種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(Cc1nc(oc1)c2cccs2)C(c4cc3cnn(C(C)C)c3nc4)=O |
InChI | InChI | 1.03 | InChI=1S/C18H17N5O2S/c1-11(2)23-16-12(8-21-23)6-13(7-19-16)17(24)20-9-14-10-25-18(22-14)15-4-3-5-26-15/h3-8,10-11H,9H2,1-2H3,(H,20,24) |
InChIKey | InChI | 1.03 | OISFTLSEOJZOQD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ncc2cc(cnc12)C(=O)NCc3coc(n3)c4sccc4 |
SMILES | CACTVS | 3.385 | CC(C)n1ncc2cc(cnc12)C(=O)NCc3coc(n3)c4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1 |