2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C16H18N2O2S MolecularWeight: 302.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H18N2O2S/c1-3-4-13-9-15(20)18-16(17-13)21-10-14(19)12-7-5-11(2)6-8-12/h5-9H,3-4,10H2,1-2H3,(H,17,18,20)