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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-morpholinopyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(6-morpholinopyrimidin-4-yl)thio]acetamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC(=C2)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC(=C2)N3CCOCC3)OC

InChI

InChI=1S/C20H26N4O4S/c1-26-16-4-3-15(11-17(16)27-2)5-6-21-19(25)13-29-20-12-18(22-14-23-20)24-7-9-28-10-8-24/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,21,25)