5-bromanyl-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiophene-2-carboxamide Formula: C21H24BrN5OS MolecularWeight: 474.41716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC=C(S4)Br

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H24BrN5OS/c1-27(2)19-15-5-3-4-6-16(15)25-21(26-19)24-14-9-7-13(8-10-14)23-20(28)17-11-12-18(22)29-17/h3-6,11-14H,7-10H2,1-2H3,(H,23,28)(H,24,25,26)