N-[2-(4-methanoylpiperazin-1-yl)-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-4-yl]nitramide

Systemtic Name: N-[2-(4-methanoylpiperazin-1-yl)-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-4-yl]nitramide Openeye Name: N-[2-(4-formylpiperazin-1-yl)-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-4-yl]nitramide CAS Name: N-[2-(4-formyl-1-piperazinyl)-6-(4-oxido-4-thiomorpholin-4-iumyl)-4-pyrimidinyl]nitramide IUPAC Name: N-[2-(4-formylpiperazin-1-yl)-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-4-yl]nitramide Traditional Name: N-[2-(4-formylpiperazino)-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-4-yl]nitramide Formula: C13H19N7O4S MolecularWeight: 369.39946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N7O4S/c21-10-17-1-3-18(4-2-17)13-14-11(16-19(22)23)9-12(15-13)20(24)5-7-25-8-6-20/h9-10H,1-8H2,(H,14,15,16)