4-[6-ethoxy-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[6-ethoxy-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[6-ethoxy-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine CAS Name: 4-[6-ethoxy-5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[6-ethoxy-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Traditional Name: 4-[6-ethoxy-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Formula: C14H22N6O4S MolecularWeight: 370.42728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)[N+]3(CCNCC3)[O-]

Isomeric SMILES

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)[N+]3(CCNCC3)[O-]

InChI

InChI=1S/C14H22N6O4S/c1-2-24-13-11(19(21)22)12(18-5-9-25-10-6-18)16-14(17-13)20(23)7-3-15-4-8-20/h15H,2-10H2,1H3