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

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-methylbenzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C22H16BrN3O2 MolecularWeight: 434.28534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O2/c1-14-5-7-15(8-6-14)22(27)28-18-4-2-3-17(12-18)26-21-19-11-16(23)9-10-20(19)24-13-25-21/h2-13H,1H3,(H,24,25,26)