5-ethyl-1-(2-methylphenyl)-6-oxidanyl-2-phenacylsulfanyl-pyrimidin-4-one

Systemtic Name: 5-ethyl-1-(2-methylphenyl)-6-oxidanyl-2-phenacylsulfanyl-pyrimidin-4-one Openeye Name: 5-ethyl-6-hydroxy-1-(o-tolyl)-2-phenacylsulfanyl-pyrimidin-4-one CAS Name: 5-ethyl-6-hydroxy-1-(2-methylphenyl)-2-(phenacylthio)-4-pyrimidinone IUPAC Name: 5-ethyl-6-hydroxy-1-(2-methylphenyl)-2-phenacylsulfanylpyrimidin-4-one Traditional Name: 5-ethyl-6-hydroxy-1-(o-tolyl)-2-(phenacylthio)pyrimidin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3C)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3C)O

InChI

InChI=1S/C21H20N2O3S/c1-3-16-19(25)22-21(27-13-18(24)15-10-5-4-6-11-15)23(20(16)26)17-12-8-7-9-14(17)2/h4-12,26H,3,13H2,1-2H3