7-bromanyl-6-methylsulfanyl-1H-quinazolin-4-one; methanoic acid

Systemtic Name: 7-bromanyl-6-methylsulfanyl-1H-quinazolin-4-one; methanoic acid Openeye Name: 7-bromo-6-methylsulfanyl-1H-quinazolin-4-one; formic acid CAS Name: 7-bromo-6-(methylthio)-1H-quinazolin-4-one; formic acid IUPAC Name: 7-bromo-6-methylsulfanyl-1H-quinazolin-4-one; formic acid Traditional Name: 7-bromo-6-(methylthio)-1H-quinazolin-4-one; formic acid Formula: C10H9BrN2O3S MolecularWeight: 317.15906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)C(=O)N=CN2)Br.C(=O)O

Isomeric SMILES

CSC1=C(C=C2C(=C1)C(=O)N=CN2)Br.C(=O)O

InChI

InChI=1S/C9H7BrN2OS.CH2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13;2-1-3/h2-4H,1H3,(H,11,12,13);1H,(H,2,3)