5-ethoxycarbonyl-6-methyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidin-4-olate

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC(CC3)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C16H21N3O5/c1-3-23-16(22)12-9(2)24-15-13(12)14(21)17-11(18-15)8-19-6-4-10(20)5-7-19/h10,20H,3-8H2,1-2H3,(H,17,18,21)