[3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-chloranylbenzoate

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C21H13BrClN3O2 MolecularWeight: 454.70382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H13BrClN3O2/c22-14-6-9-19-18(10-14)20(25-12-24-19)26-16-2-1-3-17(11-16)28-21(27)13-4-7-15(23)8-5-13/h1-12H,(H,24,25,26)