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

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-keto-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-2-yl]thio]propionic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-9-12(8-21-11-6-4-3-5-7-11)13(18)17-15(16-9)22-10(2)14(19)20/h3-7,10H,8H2,1-2H3,(H,19,20)(H,16,17,18)