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

Systemtic Name: 5-ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-ethyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C22H22N2O3S MolecularWeight: 394.48668

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-3-18-19(13-15-7-5-4-6-8-15)23-22(24-21(18)26)28-14-20(25)16-9-11-17(27-2)12-10-16/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)