2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 2-[(6-phenyl-4-pyrimidinyl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1C)C)C)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1C)C)C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3OS/c1-5-20(23(27)26-22-16(3)11-15(2)12-17(22)4)28-21-13-19(24-14-25-21)18-9-7-6-8-10-18/h6-14,20H,5H2,1-4H3,(H,26,27)