N-(2,6-dimethylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3OS/c1-15-8-7-9-16(2)22(15)25-20(26)12-13-27-21-14-19(23-17(3)24-21)18-10-5-4-6-11-18/h4-11,14H,12-13H2,1-3H3,(H,25,26)