Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4 |
InChI | InChI | 1.03 | InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1 |
InChIKey | InChI | 1.03 | WSIQKQLAGWVKSL-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)c2cc(NCc3ccncc3)n4nccc4n2 |
SMILES | CACTVS | 3.385 | Brc1cccc(c1)c2cc(NCc3ccncc3)n4nccc4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4 |