4-[5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine CAS Name: 4-[5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Traditional Name: 4-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Formula: C12H18N6O3S MolecularWeight: 326.37472

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC=C(C(=N2)N3CCSCC3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[N+](CCN1)(C2=NC=C(C(=N2)N3CCSCC3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H18N6O3S/c19-17(20)10-9-14-12(18(21)5-1-13-2-6-18)15-11(10)16-3-7-22-8-4-16/h9,13H,1-8H2