(4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: (4-amino-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-amino-5-ethoxycarbonyl-6-methyl-2-furo[2,3-d]pyrimidinyl)methyl-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: (4-amino-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-2-yl)methyl-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: (4-amino-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC2=NC(=C3C(=C(OC3=N2)C)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC2=NC(=C3C(=C(OC3=N2)C)C(=O)OCC)N

InChI

InChI=1S/C21H26N4O4/c1-5-27-15-9-7-14(8-10-15)11-25(4)12-16-23-19(22)18-17(21(26)28-6-2)13(3)29-20(18)24-16/h7-10H,5-6,11-12H2,1-4H3,(H2,22,23,24)/p+1