5-(2-azanylquinazolin-6-yl)-N-[5-tert-butyl-2-[3-(dimethylamino)propyl-methyl-amino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: 5-(2-azanylquinazolin-6-yl)-N-[5-tert-butyl-2-[3-(dimethylamino)propyl-methyl-amino]phenyl]-2-fluoranyl-benzamide Openeye Name: 5-(2-aminoquinazolin-6-yl)-N-[5-tert-butyl-2-[3-(dimethylamino)propyl-methyl-amino]phenyl]-2-fluoro-benzamide CAS Name: 5-(2-amino-6-quinazolinyl)-N-[5-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]phenyl]-2-fluorobenzamide IUPAC Name: 5-(2-aminoquinazolin-6-yl)-N-[5-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]phenyl]-2-fluorobenzamide Traditional Name: 5-(2-aminoquinazolin-6-yl)-N-[5-tert-butyl-2-[3-(dimethylamino)propyl-methyl-amino]phenyl]-2-fluoro-benzamide Formula: C31H37FN6O MolecularWeight: 528.663483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N(C)CCCN(C)C)NC(=O)C2=C(C=CC(=C2)C3=CC4=CN=C(N=C4C=C3)N)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N(C)CCCN(C)C)NC(=O)C2=C(C=CC(=C2)C3=CC4=CN=C(N=C4C=C3)N)F

InChI

InChI=1S/C31H37FN6O/c1-31(2,3)23-10-13-28(38(6)15-7-14-37(4)5)27(18-23)35-29(39)24-17-21(8-11-25(24)32)20-9-12-26-22(16-20)19-34-30(33)36-26/h8-13,16-19H,7,14-15H2,1-6H3,(H,35,39)(H2,33,34,36)