methyl 3-[(6-iodanylquinazolin-4-yl)amino]benzoate

Systemtic Name: methyl 3-[(6-iodanylquinazolin-4-yl)amino]benzoate Openeye Name: methyl 3-[(6-iodoquinazolin-4-yl)amino]benzoate CAS Name: 3-[(6-iodo-4-quinazolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-iodoquinazolin-4-yl)amino]benzoate Traditional Name: 3-[(6-iodoquinazolin-4-yl)amino]benzoic acid methyl ester Formula: C16H12IN3O2 MolecularWeight: 405.18985

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)I

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)I

InChI

InChI=1S/C16H12IN3O2/c1-22-16(21)10-3-2-4-12(7-10)20-15-13-8-11(17)5-6-14(13)18-9-19-15/h2-9H,1H3,(H,18,19,20)