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SMILES: C=CC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br Canonical SMILES: C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br InChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) InChIKey: HTUBKQUPEREOGA-UHFFFAOYSA-N
CBID:5303 http://www.chembase.cn/molecule-5303.html