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

Systemtic Name: 7-bromanyl-6-ethylsulfanyl-1H-quinazolin-4-one; methanoic acid Openeye Name: 7-bromo-6-ethylsulfanyl-1H-quinazolin-4-one; formic acid CAS Name: 7-bromo-6-(ethylthio)-1H-quinazolin-4-one; formic acid IUPAC Name: 7-bromo-6-ethylsulfanyl-1H-quinazolin-4-one; formic acid Traditional Name: 7-bromo-6-(ethylthio)-1H-quinazolin-4-one; formic acid Formula: C11H11BrN2O3S MolecularWeight: 331.18564

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C2C(=C1)C(=O)N=CN2)Br.C(=O)O

Isomeric SMILES

CCSC1=C(C=C2C(=C1)C(=O)N=CN2)Br.C(=O)O

InChI

InChI=1S/C10H9BrN2OS.CH2O2/c1-2-15-9-3-6-8(4-7(9)11)12-5-13-10(6)14;2-1-3/h3-5H,2H2,1H3,(H,12,13,14);1H,(H,2,3)