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

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

Systemtic Name:4-[4-methyl-5-nitro-6-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-2-yl]thiomorpholine
Openeye Name:4-[4-methyl-5-nitro-6-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-2-yl]thiomorpholine
CAS Name:4-[4-methyl-5-nitro-6-(1-oxido-1-piperazin-1-iumyl)-2-pyrimidinyl]thiomorpholine
IUPAC Name:4-[4-methyl-5-nitro-6-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-2-yl]thiomorpholine
Traditional Name:4-[4-methyl-5-nitro-6-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-2-yl]thiomorpholine
Formula: C13H20N6O3S
MolecularWeight: 340.4013
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCSCC2)[N+]3(CCNCC3)[O-])[N+](=O)[O-]


Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCSCC2)[N+]3(CCNCC3)[O-])[N+](=O)[O-]


InChI

InChI=1S/C13H20N6O3S/c1-10-11(18(20)21)12(19(22)6-2-14-3-7-19)16-13(15-10)17-4-8-23-9-5-17/h14H,2-9H2,1H3


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