3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]benzoate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=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)24-11-12-7-6-8-13(9-12)16(22)23/h6-10H,11H2,1-5H3,(H,22,23)/p-1