6-ethyl-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-ethyl-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-ethyl-5-methyl-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-ethyl-5-methyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C15H16N2O2S MolecularWeight: 288.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H16N2O2S/c1-3-12-10(2)14(19)17-15(16-12)20-9-13(18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,19)