5-bromanyl-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidine-4-carbonitrile

Systemtic Name: 5-bromanyl-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidine-4-carbonitrile Openeye Name: 5-bromo-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidine-4-carbonitrile CAS Name: 5-bromo-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-4-pyrimidinecarbonitrile IUPAC Name: 5-bromo-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-ylpyrimidine-4-carbonitrile Traditional Name: 5-bromo-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidine-4-carbonitrile Formula: C13H17BrN6OS MolecularWeight: 385.28268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC(=C(C(=N2)N3CCSCC3)Br)C#N)[O-]

Isomeric SMILES

C1C[N+](CCN1)(C2=NC(=C(C(=N2)N3CCSCC3)Br)C#N)[O-]

InChI

InChI=1S/C13H17BrN6OS/c14-11-10(9-15)17-13(20(21)5-1-16-2-6-20)18-12(11)19-3-7-22-8-4-19/h16H,1-8H2