2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid

Systemtic Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid Openeye Name: 2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]butanoic acid IUPAC Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid Traditional Name: 2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]butyric acid Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H16N2O2S2/c1-3-13(17(20)21)23-16-14-12(8-22-15(14)18-9-19-16)11-6-4-10(2)5-7-11/h4-9,13H,3H2,1-2H3,(H,20,21)