3-methylbutyl 4-[(6-bromanylquinazolin-4-yl)amino]benzoate

Systemtic Name: 3-methylbutyl 4-[(6-bromanylquinazolin-4-yl)amino]benzoate Openeye Name: isopentyl 4-[(6-bromoquinazolin-4-yl)amino]benzoate CAS Name: 4-[(6-bromo-4-quinazolinyl)amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(6-bromoquinazolin-4-yl)amino]benzoate Traditional Name: 4-[(6-bromoquinazolin-4-yl)amino]benzoic acid isoamyl ester Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2/c1-13(2)9-10-26-20(25)14-3-6-16(7-4-14)24-19-17-11-15(21)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,23,24)