PDB CCD ID: | 0JS |
Number of entries in BioLiP: | 1 |
Chemical formula: | C23 H30 Br N5 O2 |
InChI: | InChI=1S/C23H30BrN5O2/c1-6-7-10-28(13-16-8-9-16)23-26-15(3)25-22-20(14(2)27-29(22)23)21-18(30-4)11-17(24)12-19(21)31-5/h11-12,16H,6-10,13H2,1-5H3 |
InChIKey: | OJLXBYHGJDKGTD-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CCCCN(CC1CC1)c2nc(C)nc3n2nc(C)c3c4c(OC)cc(Br)cc4OC | OpenEye OEToolkits 2.0.7 | CCCCN(CC1CC1)c2nc(nc3n2nc(c3c4c(cc(cc4OC)Br)OC)C)C |
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Name: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine |