6-bromanyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

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