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The molecular formula is C9H7BrN4S.
The molecular weight is 283.15 g/mol.
The IUPAC name is (5-bromoquinazolin-6-yl)thiourea.
The InChI is InChI=1S/C9H7BrN4S/c10-8-5-3-12-4-13-6(5)1-2-7(8)14-9(11)15/h1-4H,(H3,11,14,15).
The InChIKey is UMFNCBNWRMMMTB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NC=NC=C2C(=C1NC(=S)N)Br.
The XLogP3-AA value is 1.4.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
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