種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) |
InChIKey | InChI | 1.03 | XISVSTPEXYIKJL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13 |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5 |