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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: 5-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-2-furamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-4-15-10-20(26(2)3)25-22(24-15)31-12-16-6-8-18(30-16)21(27)23-11-14-5-7-17-19(9-14)29-13-28-17/h5-10H,4,11-13H2,1-3H3,(H,23,27)