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

Systemtic Name: [5-ethoxycarbonyl-6-(4-methanoylpiperazin-1-yl)-2-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [5-ethoxycarbonyl-6-(4-formylpiperazin-1-yl)-2-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [5-ethoxycarbonyl-6-(4-formyl-1-piperazinyl)-2-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [5-ethoxycarbonyl-6-(4-formylpiperazin-1-yl)-2-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [5-carbethoxy-6-(4-formylpiperazino)-2-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C17H24N5O4S- MolecularWeight: 394.46856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1N2CCN(CC2)C=O)N3CCSCC3)C[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1N2CCN(CC2)C=O)N3CCSCC3)C[O-]

InChI

InChI=1S/C17H24N5O4S/c1-2-26-16(25)14-13(11-23)18-17(22-7-9-27-10-8-22)19-15(14)21-5-3-20(12-24)4-6-21/h12H,2-11H2,1H3/q-1