2-[[4-[(6-bromanylquinazolin-4-yl)amino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(6-bromanylquinazolin-4-yl)amino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(6-bromoquinazolin-4-yl)amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(6-bromo-4-quinazolinyl)amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(6-bromoquinazolin-4-yl)amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(6-bromoquinazolin-4-yl)amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C21H25BrN5O+ MolecularWeight: 443.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)Br

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)Br

InChI

InChI=1S/C21H24BrN5O/c1-3-27(4-2)12-11-23-21(28)15-5-8-17(9-6-15)26-20-18-13-16(22)7-10-19(18)24-14-25-20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,28)(H,24,25,26)/p+1