3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclohexyl)methyl]propanamide Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclohexyl)methyl]propanamide CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(1-phenylcyclohexyl)methyl]propanamide IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclohexyl)methyl]propanamide Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(1-phenylcyclohexyl)methyl]propionamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NCC2(CCCCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NCC2(CCCCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3OS/c1-17-15-18(2)25-21(24-17)27-14-11-20(26)23-16-22(12-7-4-8-13-22)19-9-5-3-6-10-19/h3,5-6,9-10,15H,4,7-8,11-14,16H2,1-2H3,(H,23,26)