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

Systemtic Name: bis[(4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: bis[(4-amino-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: bis[(4-amino-5-ethoxycarbonyl-6-methyl-2-furo[2,3-d]pyrimidinyl)methyl]-methylammonium IUPAC Name: bis[(4-amino-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-2-yl)methyl]-methylazanium Traditional Name: bis[(4-amino-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C23H28N7O6+ MolecularWeight: 498.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+](C)CC3=NC(=C4C(=C(OC4=N3)C)C(=O)OCC)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+](C)CC3=NC(=C4C(=C(OC4=N3)C)C(=O)OCC)N)C

InChI

InChI=1S/C23H27N7O6/c1-6-33-22(31)14-10(3)35-20-16(14)18(24)26-12(28-20)8-30(5)9-13-27-19(25)17-15(23(32)34-7-2)11(4)36-21(17)29-13/h6-9H2,1-5H3,(H2,24,26,28)(H2,25,27,29)/p+1