2-[[6-methyl-4-oxidanylidene-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-2-yl]thio]acetic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)O)COC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)O)COC2=CC=CC=C2

InChI

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