2-[(E)-3-bromanylprop-2-enyl]sulfanylpyrimidine-4,5-diamine

Systemtic Name: 2-[(E)-3-bromanylprop-2-enyl]sulfanylpyrimidine-4,5-diamine Openeye Name: 2-[(E)-3-bromoallyl]sulfanylpyrimidine-4,5-diamine CAS Name: 2-[[(E)-3-bromoprop-2-enyl]thio]pyrimidine-4,5-diamine IUPAC Name: 2-[(E)-3-bromoprop-2-enyl]sulfanylpyrimidine-4,5-diamine Traditional Name: [4-amino-2-[[(E)-3-bromoallyl]thio]pyrimidin-5-yl]amine Formula: C7H9BrN4S MolecularWeight: 261.14216

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)SCC=CBr)N)N

Isomeric SMILES

C1=C(C(=NC(=N1)SC/C=C/Br)N)N

InChI

InChI=1S/C7H9BrN4S/c8-2-1-3-13-7-11-4-5(9)6(10)12-7/h1-2,4H,3,9H2,(H2,10,11,12)/b2-1+