[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl benzoate

Systemtic Name: [4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl benzoate Openeye Name: (6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl benzoate CAS Name: benzoic acid [[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl ester IUPAC Name: (6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl benzoate Traditional Name: benzoic acid [(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3S/c22-17-12-16(11-14-7-3-1-4-8-14)20-19(21-17)25-13-24-18(23)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,21,22)