methyl 5-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

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