3-[[4-tert-butyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-tert-butyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-tert-butyl-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-tert-butyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-tert-butyl-pyrimidin-2-yl]thio]methyl]benzoate Formula: C24H26N3O2S- MolecularWeight: 420.54714

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])N(C)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O2S/c1-24(2,3)20-14-21(27(4)15-17-9-6-5-7-10-17)26-23(25-20)30-16-18-11-8-12-19(13-18)22(28)29/h5-14H,15-16H2,1-4H3,(H,28,29)/p-1