(5-ethoxycarbonyl-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (5-ethoxycarbonyl-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl]-methylazanium Traditional Name: benzyl-[(5-carbethoxy-4-keto-6-methyl-3H-furo[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O4/c1-4-25-19(24)15-12(2)26-18-16(15)17(23)20-14(21-18)11-22(3)10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,20,21,23)/p+1