(2R)-N-(cyclohexylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H26N4O2S/c1-14-13-18(16-9-5-3-6-10-16)24-21(22-14)28-15(2)19(26)25-20(27)23-17-11-7-4-8-12-17/h3,5-6,9-10,13,15,17H,4,7-8,11-12H2,1-2H3,(H2,23,25,26,27)/t15-/m1/s1