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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=O)C(=C(N2)C)COC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=O)C(=C(N2)C)COC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-14-9-10-17(15(2)11-14)13-26-21-22-16(3)19(20(24)23-21)12-25-18-7-5-4-6-8-18/h4-11H,12-13H2,1-3H3,(H,22,23,24)