1-(3,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H20N2O3S/c1-14-11-17(15-7-5-4-6-8-15)23-21(22-14)27-13-18(24)16-9-10-19(25-2)20(12-16)26-3/h4-12H,13H2,1-3H3