Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCC1=NNC=2N=C(NC(=O)C=2C1=O)N |
InChI | InChI | 1.03 | InChI=1S/C9H9N5O4/c10-9-11-7-5(8(18)12-9)6(17)3(13-14-7)1-2-4(15)16/h1-2H2,(H,15,16)(H4,10,11,12,14,17,18) |
InChIKey | InChI | 1.03 | CGUTUVAIFLDCOT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CCC(O)=O |
SMILES | CACTVS | 3.370 | NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N |