N-(1,3-benzodioxol-5-ylmethyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-morpholinopyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(6-morpholinopyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O4S/c23-17(19-9-13-1-2-14-15(7-13)26-12-25-14)10-27-18-8-16(20-11-21-18)22-3-5-24-6-4-22/h1-2,7-8,11H,3-6,9-10,12H2,(H,19,23)