Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1cc(ccc1)n2nc3nc(nc(O)c3n2)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(O)c2nn(nc2n1)c3cccc(c3)C(O)=O |
SMILES | CACTVS | 3.341 | Nc1nc(O)c2nn(nc2n1)c3cccc(c3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18) |
InChIKey | InChI | 1.03 | KNLLRZNGRRRPEW-UHFFFAOYSA-N |