2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)-6-fluoranyl-quinazolin-4-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[2-(4-bromophenyl)-6-fluoro-4-quinazolinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[2-(4-bromophenyl)-6-fluoro-quinazolin-4-yl]thio]-N-cyclohexyl-acetamide Formula: C22H21BrFN3OS MolecularWeight: 474.389043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrFN3OS/c23-15-8-6-14(7-9-15)21-26-19-11-10-16(24)12-18(19)22(27-21)29-13-20(28)25-17-4-2-1-3-5-17/h6-12,17H,1-5,13H2,(H,25,28)