5-azanyl-4-[3-(2-bromanylethanoylamino)phenyl]-7-tert-butyl-2-methylsulfanyl-quinazoline-6-carboxamide

Systemtic Name: 5-azanyl-4-[3-(2-bromanylethanoylamino)phenyl]-7-tert-butyl-2-methylsulfanyl-quinazoline-6-carboxamide Openeye Name: 5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-7-tert-butyl-2-methylsulfanyl-quinazoline-6-carboxamide CAS Name: 5-amino-4-[3-[(2-bromo-1-oxoethyl)amino]phenyl]-7-tert-butyl-2-(methylthio)-6-quinazolinecarboxamide IUPAC Name: 5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-7-tert-butyl-2-methylsulfanylquinazoline-6-carboxamide Traditional Name: 5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-7-tert-butyl-2-(methylthio)quinazoline-6-carboxamide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)NC(=O)CBr

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)NC(=O)CBr

InChI

InChI=1S/C22H24BrN5O2S/c1-22(2,3)13-9-14-17(18(24)16(13)20(25)30)19(28-21(27-14)31-4)11-6-5-7-12(8-11)26-15(29)10-23/h5-9H,10,24H2,1-4H3,(H2,25,30)(H,26,29)