Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4 |
SMILES | CACTVS | 3.370 | OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25) |
InChIKey | InChI | 1.03 | KCTGBSZXRNRGOD-UHFFFAOYSA-N |