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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(6-morpholinopyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-morpholinopyrimidin-4-yl)thio]acetamide Formula: C17H18N4O4S MolecularWeight: 374.41422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N4O4S/c22-16(20-12-1-2-13-14(7-12)25-11-24-13)9-26-17-8-15(18-10-19-17)21-3-5-23-6-4-21/h1-2,7-8,10H,3-6,9,11H2,(H,20,22)