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

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-(1-azocan-1-iumylmethyl)-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCCCCC3)C

InChI

InChI=1S/C18H25N3O4/c1-3-24-18(23)14-12(2)25-17-15(14)16(22)19-13(20-17)11-21-9-7-5-4-6-8-10-21/h3-11H2,1-2H3,(H,19,20,22)