(4-azanylquinazolin-2-yl)methyl 3-iodanylbenzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-iodanylbenzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C16H12IN3O2 MolecularWeight: 405.18985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC(=CC=C3)I)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC(=CC=C3)I)N

InChI

InChI=1S/C16H12IN3O2/c17-11-5-3-4-10(8-11)16(21)22-9-14-19-13-7-2-1-6-12(13)15(18)20-14/h1-8H,9H2,(H2,18,19,20)