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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5-methyl-1H-pyrimidin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-14-18(12-15-6-4-3-5-7-15)22-21(23-20(14)25)27-13-19(24)16-8-10-17(26-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,22,23,25)