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

Systemtic Name: 2-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SCC(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-11-7-10(6-9-4-2-1-3-5-9)14-13(15-11)19-8-12(17)18/h1-5,7H,6,8H2,(H,17,18)(H,14,15,16)