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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-isobutoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-5-(4-isobutoxybenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)OCC(C)C)C

InChI

InChI=1S/C25H30N2O2S/c1-16(2)14-29-22-10-7-20(8-11-22)13-23-19(5)26-25(27-24(23)28)30-15-21-9-6-17(3)12-18(21)4/h6-12,16H,13-15H2,1-5H3,(H,26,27,28)