N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C21H28N4O4S/c1-4-28-18-13-17(25-8-10-27-11-9-25)19(29-5-2)12-16(18)24-20(26)14-30-21-22-7-6-15(3)23-21/h6-7,12-13H,4-5,8-11,14H2,1-3H3,(H,24,26)