1-[2-(1-oxidanidylpiperazin-1-ium-1-yl)-4-thiomorpholin-4-yl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-(1-oxidanidylpiperazin-1-ium-1-yl)-4-thiomorpholin-4-yl-pyrimidin-5-yl]ethanone Openeye Name: 1-[2-(1-oxidopiperazin-1-ium-1-yl)-4-thiomorpholino-pyrimidin-5-yl]ethanone CAS Name: 1-[2-(1-oxido-1-piperazin-1-iumyl)-4-thiomorpholin-4-yl-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-(1-oxidopiperazin-1-ium-1-yl)-4-thiomorpholin-4-ylpyrimidin-5-yl]ethanone Traditional Name: 1-[2-(1-oxidopiperazin-1-ium-1-yl)-4-thiomorpholino-pyrimidin-5-yl]ethanone Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(N=C1N2CCSCC2)[N+]3(CCNCC3)[O-]

Isomeric SMILES

CC(=O)C1=CN=C(N=C1N2CCSCC2)[N+]3(CCNCC3)[O-]

InChI

InChI=1S/C14H21N5O2S/c1-11(20)12-10-16-14(19(21)6-2-15-3-7-19)17-13(12)18-4-8-22-9-5-18/h10,15H,2-9H2,1H3