Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N2c4c(C(=CC2=NN1)CO)ccc(c3cccn3)c4 |
SMILES_CANONICAL | CACTVS | 3.370 | OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]ccc4 |
SMILES | CACTVS | 3.370 | OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]ccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO |
InChI | InChI | 1.03 | InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21) |
InChIKey | InChI | 1.03 | FEKDFTQZRBQDGS-UHFFFAOYSA-N |