5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]-2-furoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-11-9-14(12-5-3-2-4-6-12)19-17(18-11)23-10-13-7-8-15(22-13)16(20)21/h2-9H,10H2,1H3,(H,20,21)