2-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]methyl]-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-6-methyl-2-[[methyl(piperonyl)ammonio]methyl]furo[2,3-d]pyrimidin-4-olate Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H21N3O6/c1-4-26-20(25)16-11(2)29-19-17(16)18(24)21-15(22-19)9-23(3)8-12-5-6-13-14(7-12)28-10-27-13/h5-7H,4,8-10H2,1-3H3,(H,21,22,24)