N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide Traditional Name: 5-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-piperonyl-2-furamide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5

InChI

InChI=1S/C24H26N4O5S/c1-2-17-12-22(28-7-9-30-10-8-28)27-24(26-17)34-14-18-4-6-20(33-18)23(29)25-13-16-3-5-19-21(11-16)32-15-31-19/h3-6,11-12H,2,7-10,13-15H2,1H3,(H,25,29)