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

Systemtic Name: 6-bromanyl-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]-3-propyl-quinazolin-4-one Formula: C21H19BrN4O2S MolecularWeight: 471.37016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19BrN4O2S/c1-3-10-26-20(28)15-11-13(22)8-9-17(15)24-21(26)29-12(2)18-23-16-7-5-4-6-14(16)19(27)25-18/h4-9,11-12H,3,10H2,1-2H3,(H,23,25,27)