3-[(4-methylphenyl)methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one Openeye Name: 2-phenethylsulfanyl-6-phenyl-3-(p-tolylmethyl)pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-(phenethylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-phenethylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 3-(4-methylbenzyl)-2-(phenethylthio)-6-phenyl-pyrimidin-4-one Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS/c1-20-12-14-22(15-13-20)19-28-25(29)18-24(23-10-6-3-7-11-23)27-26(28)30-17-16-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3