5-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(6-phenyl-4-pyrimidinyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(6-phenylpyrimidin-4-yl)thio]methyl]-2-furoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-16(20)14-7-6-12(21-14)9-22-15-8-13(17-10-18-15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)