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

Systemtic Name: 2-[[2-(2-chloranylphenoxy)ethyl-methyl-azaniumyl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[[2-(2-chlorophenoxy)ethyl-methyl-ammonio]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-[[2-(2-chlorophenoxy)ethyl-methylammonio]methyl]-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[[2-(2-chlorophenoxy)ethyl-methylazaniumyl]methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-2-[[2-(2-chlorophenoxy)ethyl-methyl-ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CCOC3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CCOC3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H22ClN3O5/c1-4-27-20(26)16-12(2)29-19-17(16)18(25)22-15(23-19)11-24(3)9-10-28-14-8-6-5-7-13(14)21/h5-8H,4,9-11H2,1-3H3,(H,22,23,25)