種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc2cc(n1nccc1)ccc2N5N=C(c4ccnn4c3ccccc3)C(=O)C(OC)=C5 |
InChI | InChI | 1.03 | InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3 |
InChIKey | InChI | 1.03 | KVHRYLNQDWXAGI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 |
SMILES | CACTVS | 3.385 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 |
SMILES | OpenEye OEToolkits | 1.7.6 | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5 |