5-[(2-chloranylphenoxy)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-chloranylphenoxy)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(2-chlorophenoxy)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-chlorophenoxy)methyl]-2-[(2,5-dimethylphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2-chlorophenoxy)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[(2-chlorophenoxy)methyl]-2-[(2,5-dimethylbenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)C)COC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)C)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-13-8-9-14(2)16(10-13)12-27-21-23-15(3)17(20(25)24-21)11-26-19-7-5-4-6-18(19)22/h4-10H,11-12H2,1-3H3,(H,23,24,25)