種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(c1n(nc(c1)C)c2ccccc2)C(=O)c3cnn4c3nccc4 |
InChI | InChI | 1.03 | InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24) |
InChIKey | InChI | 1.03 | MCBSZIDQUDBWTG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4 |