| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | WUJTVJFBNNNLRX-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCC[C@@H]1N(CC(O)=O)C(=O)Cn2cnc3C(=O)NC(=Nc23)N |
| SMILES | CACTVS | 3.385 | N[CH]1CCC[CH]1N(CC(O)=O)C(=O)Cn2cnc3C(=O)NC(=Nc23)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1CC(=O)N(CC(=O)O)C3CCCC3N)N=C(NC2=O)N |
