4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17N3O3S/c1-13-11-17(14-5-3-2-4-6-14)23-20(21-13)27-12-18(24)22-16-9-7-15(8-10-16)19(25)26/h2-11H,12H2,1H3,(H,22,24)(H,25,26)