種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)Nc1nc(ccn1)C(=O)Nc1cnccc1c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29) |
InChIKey | InChI | 1.06 | KOZNFQBNKITETG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cnccc1c2ccccc2)c3ccnc(Nc4ccc(cc4)C#N)n3 |
SMILES | CACTVS | 3.385 | O=C(Nc1cnccc1c2ccccc2)c3ccnc(Nc4ccc(cc4)C#N)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(n3)Nc4ccc(cc4)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(n3)Nc4ccc(cc4)C#N |