6-methyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-benzoylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(4-benzoylphenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-benzoylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[2-(4-benzoylphenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-14-13-18(23)22-20(21-14)26-12-11-25-17-9-7-16(8-10-17)19(24)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,22,23)