Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5- |
InChIKey | InChI | 1.06 | LTDNFCXBDXPOFY-XGICHPGQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCC1=NC(=C\c2c[nH]c3ccccc23)/C(=O)N1CC(O)=O |
SMILES | CACTVS | 3.385 | NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C=C3C(=O)N(C(=N3)CN)CC(=O)O |