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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C=O)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])[N+]3(CCSCC3)[O-]

Isomeric SMILES

C1CN(C(CN1)C=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)3-5-25-6-4-20)17-13(16-11)18-2-1-15-7-9(18)8-21/h8-9,15H,1-7H2