ethyl 2-(1-oxidanidylpiperazin-1-ium-1-yl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1-oxidanidylpiperazin-1-ium-1-yl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1-oxidopiperazin-1-ium-1-yl)-4-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 2-(1-oxido-1-piperazin-1-iumyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-oxidopiperazin-1-ium-1-yl)-4-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 2-(1-oxidopiperazin-1-ium-1-yl)-4-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H23N5O3S MolecularWeight: 353.43982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O3S/c1-2-23-14(21)12-11-17-15(20(22)7-3-16-4-8-20)18-13(12)19-5-9-24-10-6-19/h11,16H,2-10H2,1H3