4-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(C)C

InChI

InChI=1S/C18H23N3O2S/c1-18(2,3)14-10-15(21(4)5)20-17(19-14)24-11-12-6-8-13(9-7-12)16(22)23/h6-10H,11H2,1-5H3,(H,22,23)