6-[(3-bromophenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3-bromophenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(3-bromophenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-[(3-bromophenyl)methyl]-5-ethyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-[(3-bromophenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(3-bromobenzyl)-5-ethyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O3S/c1-3-18-19(12-14-5-4-6-16(23)11-14)24-22(25-21(18)27)29-13-20(26)15-7-9-17(28-2)10-8-15/h4-11H,3,12-13H2,1-2H3,(H,24,25,27)