N-[(2-bromophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-bromobenzyl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21BrN4OS/c1-26(12-14-6-2-4-8-17(14)22)19(27)13-28-21-24-18-9-5-3-7-16(18)20(25-21)23-15-10-11-15/h2-9,15H,10-13H2,1H3,(H,23,24,25)