[5-ethoxycarbonyl-6-(1-methanoylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate

Systemtic Name: [5-ethoxycarbonyl-6-(1-methanoylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [5-ethoxycarbonyl-6-(1-formylpiperazin-1-ium-1-yl)-2-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [5-ethoxycarbonyl-6-(1-formyl-1-piperazin-1-iumyl)-2-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [5-ethoxycarbonyl-6-(1-formylpiperazin-1-ium-1-yl)-2-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [5-carbethoxy-6-(1-formylpiperazin-1-ium-1-yl)-2-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4S/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/h12,18H,2-11H2,1H3