N-(3-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(m-tolyl)butanamide CAS Name: N-(3-methylphenyl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: 2-[(6-methylpyrimidin-4-yl)thio]-N-(m-tolyl)butyramide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC=NC(=C2)C

InChI

InChI=1S/C16H19N3OS/c1-4-14(21-15-9-12(3)17-10-18-15)16(20)19-13-7-5-6-11(2)8-13/h5-10,14H,4H2,1-3H3,(H,19,20)