N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCCC3=CCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16-19(14-20(26)23-13-12-17-8-4-2-5-9-17)21(27)25-22(24-16)28-15-18-10-6-3-7-11-18/h3,6-8,10-11H,2,4-5,9,12-15H2,1H3,(H,23,26)(H,24,25,27)