Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4 |
SMILES_CANONICAL | CACTVS | 3.352 | [nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45 |
SMILES | CACTVS | 3.352 | [nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5 |
InChI | InChI | 1.03 | InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22) |
InChIKey | InChI | 1.03 | ZCWUDZOATSSBCE-UHFFFAOYSA-N |