(4-azanylquinazolin-2-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H13N7O2 MolecularWeight: 347.33082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC(=CC=C3)N4C=NN=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC(=CC=C3)N4C=NN=N4)N

InChI

InChI=1S/C17H13N7O2/c18-16-13-6-1-2-7-14(13)20-15(21-16)9-26-17(25)11-4-3-5-12(8-11)24-10-19-22-23-24/h1-8,10H,9H2,(H2,18,20,21)