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

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-6-methyl-2-(1-piperidin-1-iumylmethyl)-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-6-methyl-2-(piperidin-1-ium-1-ylmethyl)furo[2,3-d]pyrimidin-4-olate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCCC3)C

InChI

InChI=1S/C16H21N3O4/c1-3-22-16(21)12-10(2)23-15-13(12)14(20)17-11(18-15)9-19-7-5-4-6-8-19/h3-9H2,1-2H3,(H,17,18,20)