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

Systemtic Name: 1-[4-ethoxy-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-carbaldehyde Openeye Name: 1-[4-ethoxy-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-carbaldehyde CAS Name: 1-[4-ethoxy-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazin-1-iumcarboxaldehyde IUPAC Name: 1-[4-ethoxy-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-carbaldehyde Traditional Name: 1-[4-ethoxy-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-carbaldehyde Formula: C15H23N6O5S+ MolecularWeight: 399.44532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1[N+](=O)[O-])[N+]2(CCSCC2)[O-])[N+]3(CCNCC3)C=O

Isomeric SMILES

CCOC1=NC(=NC(=C1[N+](=O)[O-])[N+]2(CCSCC2)[O-])[N+]3(CCNCC3)C=O

InChI

InChI=1S/C15H23N6O5S/c1-2-26-14-12(19(23)24)13(21(25)7-9-27-10-8-21)17-15(18-14)20(11-22)5-3-16-4-6-20/h11,16H,2-10H2,1H3/q+1