(4-azanylquinazolin-2-yl)methyl 5-bromanylthiophene-2-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 5-bromanylthiophene-2-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C14H10BrN3O2S MolecularWeight: 364.2171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=C(S3)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=C(S3)Br)N

InChI

InChI=1S/C14H10BrN3O2S/c15-11-6-5-10(21-11)14(19)20-7-12-17-9-4-2-1-3-8(9)13(16)18-12/h1-6H,7H2,(H2,16,17,18)