methyl 2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O

InChI

InChI=1S/C14H14N2O4S/c1-20-11(17)8-21-14-15-12(18)10(13(19)16-14)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,15,16,18,19)