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

Systemtic Name: 5-ethoxycarbonyl-2-[[furan-2-ylmethyl(methyl)azaniumyl]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-2-[[2-furylmethyl(methyl)ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-2-[[2-furanylmethyl(methyl)ammonio]methyl]-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-2-[[furan-2-ylmethyl(methyl)azaniumyl]methyl]-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-2-[[2-furfuryl(methyl)ammonio]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+](C)CC3=CC=CO3)C

InChI

InChI=1S/C17H19N3O5/c1-4-23-17(22)13-10(2)25-16-14(13)15(21)18-12(19-16)9-20(3)8-11-6-5-7-24-11/h5-7H,4,8-9H2,1-3H3,(H,18,19,21)