N-(2,6-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-2-(2-pyrimidinylthio)butanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-pyrimidin-2-ylsulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-2-(2-pyrimidylthio)butyramide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=NC=CC=N2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=NC=CC=N2

InChI

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