2-[5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-(5-benzylpyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[[5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-(5-benzylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-benzylpyrimidin-2-yl)thio]acetic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(N=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(N=C2)SCC(=O)O

InChI

InChI=1S/C13H12N2O2S/c16-12(17)9-18-13-14-7-11(8-15-13)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,16,17)