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

Systemtic Name: (4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (4-amino-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-amino-5-ethoxycarbonyl-6-methyl-2-furo[2,3-d]pyrimidinyl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (4-amino-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-2-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (4-amino-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-o-veratryl-ammonium Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+](C)CC3=C(C(=CC=C3)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+](C)CC3=C(C(=CC=C3)OC)OC)C

InChI

InChI=1S/C21H26N4O5/c1-6-29-21(26)16-12(2)30-20-17(16)19(22)23-15(24-20)11-25(3)10-13-8-7-9-14(27-4)18(13)28-5/h7-9H,6,10-11H2,1-5H3,(H2,22,23,24)/p+1