N-[4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]phenyl]acetamide CAS Name: N-[4-[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoyl]phenyl]acetamide Traditional Name: N-[4-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoyl]phenyl]acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-14(22(27)18-9-11-19(12-10-18)25-16(3)26)28-21-13-20(23-15(2)24-21)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,25,26)