3-{6-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-methylsulfanyl-pyrimidin-4-yl}-benzoic acid (HCID 53325848)

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Basic information

Standard SMILES: COc1ccc(CCNc2cc(-c3cccc(C(=O)O)c3)nc(SC)n2)cc1OC
InChIKey: QMFYZORHTUFQLM-UHFFFAOYSA-N
Molecular formula: C22H23N3O4S
Average molar mass: 425.5 g/mol
Monoisotopic mass: 425.1409274

Names & identifiers

Preferred name: 3-{6-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-methylsulfanyl-pyrimidin-4-yl}-benzoic acid
IUPAC: 3-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylsulfanylpyrimidin-4-yl]benzoic acid

Names & synonyms

CHEMBL1644262SCHEMBL4504669QMFYZORHTUFQLM-UHFFFAOYSA-NBDBM504177573-{6-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-methylsulfanyl-pyrimidin-4-yl}-benzoic acid