(4-azanylquinazolin-2-yl)methyl 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C18H12FN3O2S MolecularWeight: 353.370183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC4=C(C=CC=C4S3)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC4=C(C=CC=C4S3)F)N

InChI

InChI=1S/C18H12FN3O2S/c19-12-5-3-7-14-11(12)8-15(25-14)18(23)24-9-16-21-13-6-2-1-4-10(13)17(20)22-16/h1-8H,9H2,(H2,20,21,22)