N-(2,5-dimethoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]acetamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H23N3O4S2/c1-15-11-22(26-23(24-15)32-13-19(27)16-7-5-4-6-8-16)31-14-21(28)25-18-12-17(29-2)9-10-20(18)30-3/h4-12H,13-14H2,1-3H3,(H,25,28)