| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | JDSDLPGCRCFXJZ-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=CC1=CO[C@@H]2C[C@H]1C(=CN2c3ncnc4nc[nH]c34)C=O |
| SMILES | CACTVS | 3.385 | O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1[nH]c2c(n1)ncnc2N3C=C([C@@H]4C[C@H]3OC=C4C=O)C=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1[nH]c2c(n1)ncnc2N3C=C(C4CC3OC=C4C=O)C=O |
