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

Systemtic Name: (5-ethoxycarbonyl-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-(4-methylphenoxy)ethyl]azanium Openeye Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-(4-methylphenoxy)ethyl]ammonium CAS Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-(4-methylphenoxy)ethyl]ammonium IUPAC Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-(4-methylphenoxy)ethyl]azanium Traditional Name: (5-carbethoxy-4-keto-6-methyl-3H-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-(4-methylphenoxy)ethyl]ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+](C)CCOC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+](C)CCOC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H25N3O5/c1-5-27-21(26)17-14(3)29-20-18(17)19(25)22-16(23-20)12-24(4)10-11-28-15-8-6-13(2)7-9-15/h6-9H,5,10-12H2,1-4H3,(H,22,23,25)/p+1