2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-[(4-methylphenoxy)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-[(4-methylphenoxy)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-[(4-methylphenoxy)methyl]-1H-pyrimidin-4-one CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-[(4-methylphenoxy)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-[(4-methylphenoxy)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-[(4-methylphenoxy)methyl]-1H-pyrimidin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=CC(=O)N=C(N2)SCCOC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=CC(=O)N=C(N2)SCCOC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H24N2O3S/c1-15-4-6-19(7-5-15)27-14-18-13-21(25)24-22(23-18)28-9-8-26-20-11-16(2)10-17(3)12-20/h4-7,10-13H,8-9,14H2,1-3H3,(H,23,24,25)