6-bromanyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one CAS Name: 6-bromo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-pentyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-pentylquinazolin-4-one Traditional Name: 3-amyl-6-bromo-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H21BrN4O2S/c1-2-3-6-11-27-21(29)16-12-14(23)9-10-18(16)25-22(27)30-13-19-24-17-8-5-4-7-15(17)20(28)26-19/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,24,26,28)