(2-chloranyl-5-ethoxycarbonyl-6-thiomorpholin-4-yl-pyrimidin-4-yl)methanolate

Systemtic Name: (2-chloranyl-5-ethoxycarbonyl-6-thiomorpholin-4-yl-pyrimidin-4-yl)methanolate Openeye Name: (2-chloro-5-ethoxycarbonyl-6-thiomorpholino-pyrimidin-4-yl)methanolate CAS Name: (2-chloro-5-ethoxycarbonyl-6-thiomorpholin-4-yl-4-pyrimidinyl)methanolate IUPAC Name: (2-chloro-5-ethoxycarbonyl-6-thiomorpholin-4-ylpyrimidin-4-yl)methanolate Traditional Name: (5-carbethoxy-2-chloro-6-thiomorpholino-pyrimidin-4-yl)methanolate Formula: C12H15ClN3O3S- MolecularWeight: 316.7838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1N2CCSCC2)Cl)C[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1N2CCSCC2)Cl)C[O-]

InChI

InChI=1S/C12H15ClN3O3S/c1-2-19-11(18)9-8(7-17)14-12(13)15-10(9)16-3-5-20-6-4-16/h2-7H2,1H3/q-1