2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]thio]acetic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)O)OC

InChI

InChI=1S/C14H14N2O4S/c1-19-11-4-3-9(5-12(11)20-2)10-6-15-14(16-7-10)21-8-13(17)18/h3-7H,8H2,1-2H3,(H,17,18)