| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(C1=NN(C=2N=C(NC(=O)C=2C1=O)N)C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H13N5O4/c1-4(3-5(17)18)7-8(19)6-9(16(2)15-7)13-11(12)14-10(6)20/h4H,3H2,1-2H3,(H,17,18)(H3,12,13,14,20)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | SXWJQNIIWHUAJQ-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CC(O)=O)C1=NN(C)C2=C(C(=O)NC(=N2)N)C1=O |
| SMILES | CACTVS | 3.370 | C[CH](CC(O)=O)C1=NN(C)C2=C(C(=O)NC(=N2)N)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C |
