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

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S/c1-9-12(8-11-6-4-3-5-7-11)13(18)17-15(16-9)21-10(2)14(19)20/h3-7,10H,8H2,1-2H3,(H,19,20)(H,16,17,18)