3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H19N3O2S/c1-23(2)18-12-17(15-8-4-3-5-9-15)21-20(22-18)26-13-14-7-6-10-16(11-14)19(24)25/h3-12H,13H2,1-2H3,(H,24,25)