N-[4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]hexanamide CAS Name: N-[4-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]phenyl]hexanamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CCC

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CCC

InChI

InChI=1S/C21H27N3O3S/c1-3-5-6-8-19(26)22-16-11-9-15(10-12-16)18(25)14-28-21-23-17(7-4-2)13-20(27)24-21/h9-13H,3-8,14H2,1-2H3,(H,22,26)(H,23,24,27)