3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2S/c1-15-14-16(2)23-21(22-15)27-13-12-20(25)24-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3,(H,24,25)