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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CCOC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CCOC3=CC(=CC=C3)Cl)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)8-9-28-14-7-5-6-13(21)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,22,23,25)