(4-azanylquinazolin-2-yl)methyl 3,5-bis(fluoranyl)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3,5-bis(fluoranyl)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C16H11F2N3O2 MolecularWeight: 315.274246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2N3O2/c17-10-5-9(6-11(18)7-10)16(22)23-8-14-20-13-4-2-1-3-12(13)15(19)21-14/h1-7H,8H2,(H2,19,20,21)