Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cnc2c(cc(cn12)c3ccccc3)NCc4cncnc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Brc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4 |
SMILES | CACTVS | 3.341 | Brc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 |
InChI | InChI | 1.03 | InChI=1S/C18H14BrN5/c19-17-10-23-18-16(22-9-13-7-20-12-21-8-13)6-15(11-24(17)18)14-4-2-1-3-5-14/h1-8,10-12,22H,9H2 |
InChIKey | InChI | 1.03 | LZLKFNBMXXLTLX-UHFFFAOYSA-N |