(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-5-15(3)26-19(11-12-22-26)25-20(27)16(4)28-21-23-14(2)13-18(24-21)17-9-7-6-8-10-17/h6-13,15-16H,5H2,1-4H3,(H,25,27)/t15-,16-/m0/s1