Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3n2cc(c1cnnc1)cc2c(nc3)Nc4ccncc4 |
InChI | InChI | 1.03 | InChI=1S/C14H11N7/c1-3-15-4-2-12(1)20-14-13-5-10(11-6-17-18-7-11)8-21(13)19-9-16-14/h1-9H,(H,17,18)(H,15,16,19,20) |
InChIKey | InChI | 1.03 | KFPMWFGUHKKDSW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [nH]1cc(cn1)c2cn3ncnc(Nc4ccncc4)c3c2 |
SMILES | CACTVS | 3.385 | [nH]1cc(cn1)c2cn3ncnc(Nc4ccncc4)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4 |