種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O4/c1-12-8-6-7-9-16(12)27-22(30)18-13(2)15(10-11-17(18)25(4)23(27)31)20(28)19-14(3)24-26(5)21(19)29/h6-11,29H,1-5H3 |
InChIKey | InChI | 1.03 | YKHYFGVAUPZAFT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4C |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)c4c(nn(c4O)C)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)c4c(nn(c4O)C)C)C |