種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1nccn2c1nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc6 |
InChI | InChI | 1.03 | InChI=1S/C27H21N5O2/c1-18-26-30-25(19-9-3-2-4-10-19)27(31(26)16-15-28-18)29-24(33)17-32-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)32/h2-16H,17H2,1H3,(H,29,33) |
InChIKey | InChI | 1.03 | YQDHGEPNDQLBRG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(nc12)c6ccccc6 |
SMILES | CACTVS | 3.385 | Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(nc12)c6ccccc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6 |