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

Systemtic Name: (5-ethoxycarbonyl-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: (5-ethoxycarbonyl-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: (5-carbethoxy-4-keto-6-methyl-3H-furo[2,3-d]pyrimidin-2-yl)methyl-(2-methoxy-5-methyl-benzyl)-methyl-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)CC3=C(C=CC(=C3)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-6-28-21(26)17-13(3)29-20-18(17)19(25)22-16(23-20)11-24(4)10-14-9-12(2)7-8-15(14)27-5/h7-9H,6,10-11H2,1-5H3,(H,22,23,25)/p+1