3-[2-(4-methylphenoxy)ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[2-(4-methylphenoxy)ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-(4-methylphenoxy)ethyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-(4-methylphenoxy)ethyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-[2-(4-methylphenoxy)ethyl]-6-phenylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-[2-(4-methylphenoxy)ethyl]-6-phenyl-pyrimidin-4-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-20-12-14-23(15-13-20)30-17-16-28-25(29)18-24(22-10-6-3-7-11-22)27-26(28)31-19-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3