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

Systemtic Name: 4-[5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-propan-2-yl-pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[6-isopropyl-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)-6-propan-2-yl-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-propan-2-ylpyrimidin-4-yl]thiomorpholine Traditional Name: 4-[6-isopropyl-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Formula: C15H24N6O3S MolecularWeight: 368.45446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=N1)[N+]2(CCNCC2)[O-])N3CCSCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NC(=N1)[N+]2(CCNCC2)[O-])N3CCSCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H24N6O3S/c1-11(2)12-13(20(22)23)14(19-5-9-25-10-6-19)18-15(17-12)21(24)7-3-16-4-8-21/h11,16H,3-10H2,1-2H3