(2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-butanamide

Systemtic Name: (2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-butanamide Openeye Name: (2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-butanamide CAS Name: (2S)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-methylbutanamide IUPAC Name: (2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methylbutanamide Traditional Name: (2S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-methyl-butyramide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC[C@H](C)C(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H21N3OS/c1-5-11(2)16(21)20-14-6-8-15(9-7-14)22-17-18-12(3)10-13(4)19-17/h6-11H,5H2,1-4H3,(H,20,21)/t11-/m0/s1