2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-2-phenyl-acetic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18N2O3S/c1-13-12-17(14-8-10-16(25-2)11-9-14)22-20(21-13)26-18(19(23)24)15-6-4-3-5-7-15/h3-12,18H,1-2H3,(H,23,24)