PDB CCD ID: | 8EK | ||||||
Number of entries in BioLiP: | 2 | ||||||
Chemical formula: | C18 H13 N3 O3 S2 | ||||||
InChI: | InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24) | ||||||
InChIKey: | RJQYGCGMQYVVIB-UHFFFAOYSA-N | ||||||
SMILES: |
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Name: | 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid | ||||||
ChEMBL: | CHEMBL4071212 |