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

Systemtic Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-tert-butyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzoate Formula: C20H26N3O2S- MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-6-10-23(5)17-12-16(20(2,3)4)21-19(22-17)26-13-14-8-7-9-15(11-14)18(24)25/h7-9,11-12H,6,10,13H2,1-5H3,(H,24,25)/p-1