6-bromanyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[(3-methyl-2-quinoxalinyl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[(3-methylquinoxalin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C21H19BrN4OS/c1-3-10-26-20(27)15-11-14(22)8-9-16(15)25-21(26)28-12-19-13(2)23-17-6-4-5-7-18(17)24-19/h4-9,11H,3,10,12H2,1-2H3