(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-[4-[(1S)-1-methylpropyl]phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-[4-[(1S)-1-methylpropyl]phenyl]-2-(2-pyrimidylthio)propionamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-4-12(2)14-6-8-15(9-7-14)20-16(21)13(3)22-17-18-10-5-11-19-17/h5-13H,4H2,1-3H3,(H,20,21)/t12-,13-/m0/s1