種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1c2c(cn(c2N=CN1)c3ccc(OC)cc3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C19H15N3O2/c1-24-15-9-7-14(8-10-15)22-11-16(13-5-3-2-4-6-13)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23) |
InChIKey | InChI | 1.03 | VAOBJTRTUSWVKW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4 |