2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylbenzoic acid Openeye Name: 2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]benzoic acid IUPAC Name: 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]benzoic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H16N2O2S/c1-9(2)14-16-10(3)8-13(17-14)20-12-7-5-4-6-11(12)15(18)19/h4-9H,1-3H3,(H,18,19)