N-(4-bromanyl-3-methyl-phenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN(C)C)Br

InChI

InChI=1S/C20H21BrN4OS/c1-13-10-14(8-9-16(13)21)22-19(26)12-27-20-15-6-4-5-7-17(15)23-18(24-20)11-25(2)3/h4-10H,11-12H2,1-3H3,(H,22,26)