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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN4O3S/c1-11(2,17)8-7(16(18)19)9(14-10(12)13-8)15-3-5-20-6-4-15/h3-6H2,1-2H3/q-1