| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c3ccccc3C)c4)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26) |
| InChIKey | InChI | 1.03 | KCEWOOVCWCPFCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4ccccc4C |
| SMILES | CACTVS | 3.370 | CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4ccccc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C |
