1-(2-chloranyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)propan-1-olate

Systemtic Name: 1-(2-chloranyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)propan-1-olate Openeye Name: 1-(2-chloro-5-nitro-6-thiomorpholino-pyrimidin-4-yl)propan-1-olate CAS Name: 1-(2-chloro-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)-1-propanolate IUPAC Name: 1-(2-chloro-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)propan-1-olate Traditional Name: 1-(2-chloro-5-nitro-6-thiomorpholino-pyrimidin-4-yl)propan-1-olate Formula: C11H14ClN4O3S- MolecularWeight: 317.77186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=NC(=N1)Cl)N2CCSCC2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC(C1=C(C(=NC(=N1)Cl)N2CCSCC2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H14ClN4O3S/c1-2-7(17)8-9(16(18)19)10(14-11(12)13-8)15-3-5-20-6-4-15/h7H,2-6H2,1H3/q-1