(2S)-N-cycloheptyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-cycloheptyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-cycloheptyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-cycloheptyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-cycloheptyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-cycloheptyl-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propionamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C21H27N3OS/c1-15-14-19(17-10-6-5-7-11-17)24-21(22-15)26-16(2)20(25)23-18-12-8-3-4-9-13-18/h5-7,10-11,14,16,18H,3-4,8-9,12-13H2,1-2H3,(H,23,25)/t16-/m0/s1