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

Systemtic Name: N-(2,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2,4-dimethylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2,4-dimethylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]propionamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)C)C)C

InChI

InChI=1S/C17H21N3OS/c1-11-5-6-15(12(2)9-11)20-16(21)7-8-22-17-18-13(3)10-14(4)19-17/h5-6,9-10H,7-8H2,1-4H3,(H,20,21)