Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1c(Br)c(Br)c(Br)c2nn(nc12)CCc3nnn(c3)CCCCN |
InChI | InChI | 1.03 | InChI=1S/C14H15Br4N7/c15-9-10(16)12(18)14-13(11(9)17)21-25(22-14)6-3-8-7-24(23-20-8)5-2-1-4-19/h7H,1-6,19H2 |
InChIKey | InChI | 1.03 | KAIWWTMLTRXFON-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCCn1cc(CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1 |
SMILES | CACTVS | 3.385 | NCCCCn1cc(CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br |
SMILES | OpenEye OEToolkits | 1.9.2 | c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br |