2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-[(4-ethoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-ethoxybenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C22H23BrN2O3S/c1-4-28-17-8-5-15(6-9-17)11-18-14(2)24-22(25-21(18)26)29-13-16-7-10-20(27-3)19(23)12-16/h5-10,12H,4,11,13H2,1-3H3,(H,24,25,26)