5-bromanyl-2-chloranyl-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidine-4-carbonitrile

Systemtic Name: 5-bromanyl-2-chloranyl-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidine-4-carbonitrile Openeye Name: 5-bromo-2-chloro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidine-4-carbonitrile CAS Name: 5-bromo-2-chloro-6-(4-oxido-4-thiomorpholin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 5-bromo-2-chloro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidine-4-carbonitrile Traditional Name: 5-bromo-2-chloro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidine-4-carbonitrile Formula: C9H8BrClN4OS MolecularWeight: 335.60802

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[N+]1(C2=NC(=NC(=C2Br)C#N)Cl)[O-]

Isomeric SMILES

C1CSCC[N+]1(C2=NC(=NC(=C2Br)C#N)Cl)[O-]

InChI

InChI=1S/C9H8BrClN4OS/c10-7-6(5-12)13-9(11)14-8(7)15(16)1-3-17-4-2-15/h1-4H2