1-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]ethanone Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H20N2O4S/c1-25-16-7-4-14(5-8-16)17-10-11-22-21(23-17)28-13-18(24)15-6-9-19(26-2)20(12-15)27-3/h4-12H,13H2,1-3H3