(4-ethoxy-5-methanoyl-6-thiomorpholin-4-yl-pyrimidin-2-yl)sulfanylmethanolate

Systemtic Name: (4-ethoxy-5-methanoyl-6-thiomorpholin-4-yl-pyrimidin-2-yl)sulfanylmethanolate Openeye Name: (4-ethoxy-5-formyl-6-thiomorpholino-pyrimidin-2-yl)sulfanylmethanolate CAS Name: [(4-ethoxy-5-formyl-6-thiomorpholin-4-yl-2-pyrimidinyl)thio]methanolate IUPAC Name: (4-ethoxy-5-formyl-6-thiomorpholin-4-ylpyrimidin-2-yl)sulfanylmethanolate Traditional Name: [(4-ethoxy-5-formyl-6-thiomorpholino-pyrimidin-2-yl)thio]methanolate Formula: C12H16N3O3S2- MolecularWeight: 314.40374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1C=O)N2CCSCC2)SC[O-]

Isomeric SMILES

CCOC1=NC(=NC(=C1C=O)N2CCSCC2)SC[O-]

InChI

InChI=1S/C12H16N3O3S2/c1-2-18-11-9(7-16)10(13-12(14-11)20-8-17)15-3-5-19-6-4-15/h7H,2-6,8H2,1H3/q-1