4-[4-chloranyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-chloranyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-chloro-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-chloro-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-chloro-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-chloro-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C13H17ClN6O4S MolecularWeight: 388.82988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])[N+]3(CCSCC3)[O-]

Isomeric SMILES

C1CN(CCN1C=O)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])[N+]3(CCSCC3)[O-]

InChI

InChI=1S/C13H17ClN6O4S/c14-11-10(19(22)23)12(20(24)5-7-25-8-6-20)16-13(15-11)18-3-1-17(9-21)2-4-18/h9H,1-8H2