2-[4-(2-pyridin-2-ylpyrimidin-4-yl)sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-(2-pyridin-2-ylpyrimidin-4-yl)sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[2-(2-pyridyl)pyrimidin-4-yl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[2-(2-pyridinyl)-4-pyrimidinyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-(2-pyridin-2-ylpyrimidin-4-yl)sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[2-(2-pyridyl)pyrimidin-4-yl]thio]phenyl]acetic acid Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC=CC(=N2)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC=CC(=N2)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C17H13N3O2S/c21-16(22)11-12-4-6-13(7-5-12)23-15-8-10-19-17(20-15)14-3-1-2-9-18-14/h1-10H,11H2,(H,21,22)