N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]-N-piperonyl-acetamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O4S/c1-13-8-24(9-14(2)28-13)18-6-20(23-11-22-18)29-10-19(25)21-7-15-3-4-16-17(5-15)27-12-26-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,21,25)