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

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[[methyl-(phenylmethyl)azaniumyl]methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[[benzyl(methyl)ammonio]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-6-methyl-2-[[methyl-(phenylmethyl)ammonio]methyl]-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[[benzyl(methyl)azaniumyl]methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 2-[[benzyl(methyl)ammonio]methyl]-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-4-25-19(24)15-12(2)26-18-16(15)17(23)20-14(21-18)11-22(3)10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,20,21,23)