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

Systemtic Name: 3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(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)SCCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-10-12(9-11-5-3-2-4-6-11)14(20)17-15(16-10)21-8-7-13(18)19/h2-6H,7-9H2,1H3,(H,18,19)(H,16,17,20)