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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-(1-azepan-1-iumylmethyl)-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCCCC3)C

InChI

InChI=1S/C17H23N3O4/c1-3-23-17(22)13-11(2)24-16-14(13)15(21)18-12(19-16)10-20-8-6-4-5-7-9-20/h3-10H2,1-2H3,(H,18,19,21)