3-[[2,6-bis(chloranyl)phenyl]methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one Openeye Name: 3-[(2,6-dichlorophenyl)methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 3-[(2,6-dichlorophenyl)methyl]-2-(phenethylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 3-[(2,6-dichlorophenyl)methyl]-2-phenethylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 3-(2,6-dichlorobenzyl)-2-(phenethylthio)-6-phenyl-pyrimidin-4-one Formula: C25H20Cl2N2OS MolecularWeight: 467.4101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H20Cl2N2OS/c26-21-12-7-13-22(27)20(21)17-29-24(30)16-23(19-10-5-2-6-11-19)28-25(29)31-15-14-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2