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

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-6-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-6-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-6-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-6-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidin-4-olate Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC(=CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC(=CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H23N3O4/c1-3-28-22(27)18-14(2)29-21-19(18)20(26)23-17(24-21)13-25-11-9-16(10-12-25)15-7-5-4-6-8-15/h4-9H,3,10-13H2,1-2H3,(H,23,24,26)