2-(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamide Openeye Name: 2-(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-acetamide CAS Name: 2-[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide IUPAC Name: 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide Traditional Name: 2-[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]-N-homoveratryl-N-methyl-acetamide Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

InChI

InChI=1S/C21H27ClN4O4S/c1-25(7-6-15-4-5-16(28-2)17(12-15)29-3)20(27)14-31-21-23-18(22)13-19(24-21)26-8-10-30-11-9-26/h4-5,12-13H,6-11,14H2,1-3H3