3-[(6-bromanylquinazolin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 3-[(6-bromanylquinazolin-4-yl)amino]benzenesulfonic acid Openeye Name: 3-[(6-bromoquinazolin-4-yl)amino]benzenesulfonic acid CAS Name: 3-[(6-bromo-4-quinazolinyl)amino]benzenesulfonic acid IUPAC Name: 3-[(6-bromoquinazolin-4-yl)amino]benzenesulfonic acid Traditional Name: 3-[(6-bromoquinazolin-4-yl)amino]besylic acid Formula: C14H10BrN3O3S MolecularWeight: 380.2165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC=NC3=C2C=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC=NC3=C2C=C(C=C3)Br

InChI

InChI=1S/C14H10BrN3O3S/c15-9-4-5-13-12(6-9)14(17-8-16-13)18-10-2-1-3-11(7-10)22(19,20)21/h1-8H,(H,16,17,18)(H,19,20,21)