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SMILES: S1CC(=NC=C(C(=O)O)[C@@H]1c1cn2c(n1)sc1c2CCC1)C(=O)O Canonical SMILES: OC(=O)C1=CN=C(CS[C@H]1c1cn2c(n1)sc1c2CCC1)C(=O)O InChI: InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1 InChIKey: CHNMLWCTGYMVFH-GFCCVEGCSA-N
CBID:3601 http://www.chembase.cn/molecule-3601.html