Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCNCC2)c(Br)cc1 |
InChI | InChI | 1.03 | InChI=1S/C19H19Br2N5O/c1-12-19(26(25-24-12)14-7-9-22-10-8-14)16-3-2-4-18(23-16)27-17-11-13(20)5-6-15(17)21/h2-6,11,14,22H,7-10H2,1H3 |
InChIKey | InChI | 1.03 | ONGSSQIENWXPHP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnn(C2CCNCC2)c1c3cccc(Oc4cc(Br)ccc4Br)n3 |
SMILES | CACTVS | 3.385 | Cc1nnn(C2CCNCC2)c1c3cccc(Oc4cc(Br)ccc4Br)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br |