2-[4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[[2-(methylthio)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(methylthio)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C13H13N3O2S/c1-19-13-14-7-6-11(16-13)15-10-4-2-9(3-5-10)8-12(17)18/h2-7H,8H2,1H3,(H,17,18)(H,14,15,16)