bis[(4-azanylquinazolin-2-yl)methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[(4-azanylquinazolin-2-yl)methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[(4-aminoquinazolin-2-yl)methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[(4-amino-2-quinazolinyl)methyl] ester IUPAC Name: bis[(4-aminoquinazolin-2-yl)methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[(4-aminoquinazolin-2-yl)methyl] ester Formula: C25H19N7O4 MolecularWeight: 481.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=NC(=CC=C3)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=NC(=CC=C3)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N)N

InChI

InChI=1S/C25H19N7O4/c26-22-14-6-1-3-8-16(14)29-20(31-22)12-35-24(33)18-10-5-11-19(28-18)25(34)36-13-21-30-17-9-4-2-7-15(17)23(27)32-21/h1-11H,12-13H2,(H2,26,29,31)(H2,27,30,32)