IUPAC: 2-[3-[(4-carbamimidoylanilino)-(2-fluoro-4,5-dimethoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazol-1-yl]benzoic acid

SMILES: COc1cc(F)c(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ccccc3C(=O)O)c(=O)[nH]2)cc1OC

Canonical SMILES: COC1=C(C=C(C(=C1)C(C2=NN(C(=O)N2)C3=CC=CC=C3C(=O)O)NC4=CC=C(C=C4)C(=N)N)F)OC

Summenformel: C25H23FN6O5

Molare Masse: 506.50

InChIKey: UJDVISALKXVYNQ-UHFFFAOYSA-N

InChI:

InChI=1S/C25H23FN6O5/c1-36-19-11-16(17(26)12-20(19)37-2)21(29-14-9-7-13(8-10-14)22(27)28)23-30-25(35)32(31-23)18-6-4-3-5-15(18)24(33)34/h3-12,21,29H,1-2H3,(H3,27,28)(H,33,34)(H,30,31,35)

PubChem CID: 136173613 →

Synonyme

SCHEMBL2633505

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