N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]adamantane-2-carboxamide

Systemtic Name: N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]adamantane-2-carboxamide Openeye Name: N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]adamantane-2-carboxamide CAS Name: N-[3-[[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propyl]-2-adamantanecarboxamide IUPAC Name: N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]adamantane-2-carboxamide Traditional Name: N-[3-[[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propyl]adamantane-2-carboxamide Formula: C23H32F3N3OS MolecularWeight: 455.57989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCCCNC(=O)C2C3CC4CC(C3)CC2C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCCCNC(=O)C2C3CC4CC(C3)CC2C4)C(F)(F)F

InChI

InChI=1S/C23H32F3N3OS/c1-22(2,3)17-12-18(23(24,25)26)29-21(28-17)31-6-4-5-27-20(30)19-15-8-13-7-14(10-15)11-16(19)9-13/h12-16,19H,4-11H2,1-3H3,(H,27,30)