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

Systemtic Name: 5-ethoxycarbonyl-2-[[(4-ethoxyphenyl)methyl-methyl-azaniumyl]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-2-[[(4-ethoxyphenyl)methyl-methyl-ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-2-[[(4-ethoxyphenyl)methyl-methylammonio]methyl]-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-2-[[(4-ethoxyphenyl)methyl-methylazaniumyl]methyl]-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-2-[[(4-ethoxybenzyl)-methyl-ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC2=NC(=C3C(=C(OC3=N2)C)C(=O)OCC)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC2=NC(=C3C(=C(OC3=N2)C)C(=O)OCC)[O-]

InChI

InChI=1S/C21H25N3O5/c1-5-27-15-9-7-14(8-10-15)11-24(4)12-16-22-19(25)18-17(21(26)28-6-2)13(3)29-20(18)23-16/h7-10H,5-6,11-12H2,1-4H3,(H,22,23,25)