種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | COc1cccc(c1)NC(=O)Nc1cc2nc(C)c(C)nc2cc1 |
InChI | InChI | 1.03 | InChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23) |
InChIKey | InChI | 1.03 | SUIPENOZJSBAFI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2cc(ccc2n1)NC(=O)Nc3cccc(c3)OC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2cc(ccc2n1)NC(=O)Nc3cccc(c3)OC)C |