N-(2-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-methoxyphenyl)-2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-methoxyphenyl)-2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]acetamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H21N3O3S2/c1-15-12-21(29-14-20(27)24-17-10-6-7-11-19(17)28-2)25-22(23-15)30-13-18(26)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3,(H,24,27)