ethyl 4-methyl-6-(1-oxidanidylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(1-oxidanidylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(1-oxidopiperazin-1-ium-1-yl)-2-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(1-oxido-1-piperazin-1-iumyl)-2-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(1-oxidopiperazin-1-ium-1-yl)-2-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(1-oxidopiperazin-1-ium-1-yl)-2-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H25N5O3S MolecularWeight: 367.4664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1[N+]2(CCNCC2)[O-])N3CCSCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1[N+]2(CCNCC2)[O-])N3CCSCC3)C

InChI

InChI=1S/C16H25N5O3S/c1-3-24-15(22)13-12(2)18-16(20-6-10-25-11-7-20)19-14(13)21(23)8-4-17-5-9-21/h17H,3-11H2,1-2H3