3-[6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-(o-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[(2-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-[(2-methylbenzyl)thio]-1H-pyrimidin-5-yl]propionic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C16H18N2O3S/c1-10-5-3-4-6-12(10)9-22-16-17-11(2)13(15(21)18-16)7-8-14(19)20/h3-6H,7-9H2,1-2H3,(H,19,20)(H,17,18,21)