種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=P(O)(O)c1ccc(cc1)Nc1c(nc2ccccn12)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H16N3O3P/c23-26(24,25)16-11-9-15(10-12-16)20-19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13,20H,(H2,23,24,25) |
InChIKey | InChI | 1.03 | PVOVQXFFCUTLSZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1 |
SMILES | CACTVS | 3.385 | O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O)(O)O |