methane; 4-[5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)-4-sulfanylidene-1H-pyrimidin-2-yl]piperazine-1-carboxamide

Systemtic Name: methane; 4-[5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)-4-sulfanylidene-1H-pyrimidin-2-yl]piperazine-1-carboxamide Openeye Name: methane; 4-[5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)-4-thioxo-1H-pyrimidin-2-yl]piperazine-1-carboxamide CAS Name: methane; 4-[5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-4-sulfanylidene-1H-pyrimidin-2-yl]-1-piperazinecarboxamide IUPAC Name: methane; 4-[5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)-4-sulfanylidene-1H-pyrimidin-2-yl]piperazine-1-carboxamide Traditional Name: methane; 4-[5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)-4-thioxo-1H-pyrimidin-2-yl]piperazine-1-carboxamide Formula: C14H23N7O4S2 MolecularWeight: 417.50692

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Descriptors Computed from Structure

Canonical SMILES:

C.C1CN(CCN1C2=NC(=S)C(=C(N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C.C1CN(CCN1C2=NC(=S)C(=C(N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H19N7O4S2.CH4/c14-12(21)17-1-3-18(4-2-17)13-15-10(9(19(22)23)11(25)16-13)20(24)5-7-26-8-6-20;/h1-8H2,(H2,14,21)(H,15,16,25);1H4