Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3NC(c2c(c1ccccc1)nnc23)c4cccnc4 |
InChI | InChI | 1.03 | InChI=1S/C16H12N4O/c21-16-15-12(13(18-16)11-7-4-8-17-9-11)14(19-20-15)10-5-2-1-3-6-10/h1-9,13H,(H,18,21)(H,19,20)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | OHFQLOFZGKOEBH-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1N[C@@H](c2cccnc2)c3c([nH]nc13)c4ccccc4 |
SMILES | CACTVS | 3.370 | O=C1N[CH](c2cccnc2)c3c([nH]nc13)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c(n[nH]2)C(=O)NC3c4cccnc4 |