ethyl 4-(hydroxymethyl)-6-(1-methanoylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(hydroxymethyl)-6-(1-methanoylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1-formylpiperazin-1-ium-1-yl)-6-(hydroxymethyl)-2-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 4-(1-formyl-1-piperazin-1-iumyl)-6-(hydroxymethyl)-2-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-formylpiperazin-1-ium-1-yl)-6-(hydroxymethyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 4-(1-formylpiperazin-1-ium-1-yl)-6-methylol-2-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H26N5O4S+ MolecularWeight: 396.48444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N5O4S/c1-2-26-16(25)14-13(11-23)19-17(21-5-9-27-10-6-21)20-15(14)22(12-24)7-3-18-4-8-22/h12,18,23H,2-11H2,1H3/q+1