5-(4-chloranyl-2,6-dimethoxy-pyrimidin-5-yl)pentane-1-sulfonic acid

Systemtic Name: 5-(4-chloranyl-2,6-dimethoxy-pyrimidin-5-yl)pentane-1-sulfonic acid Openeye Name: 5-(4-chloro-2,6-dimethoxy-pyrimidin-5-yl)pentane-1-sulfonic acid CAS Name: 5-(4-chloro-2,6-dimethoxy-5-pyrimidinyl)-1-pentanesulfonic acid IUPAC Name: 5-(4-chloro-2,6-dimethoxypyrimidin-5-yl)pentane-1-sulfonic acid Traditional Name: 5-(4-chloro-2,6-dimethoxy-pyrimidin-5-yl)pentane-1-sulfonic acid Formula: C11H17ClN2O5S MolecularWeight: 324.78108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=N1)OC)Cl)CCCCCS(=O)(=O)O

Isomeric SMILES

COC1=C(C(=NC(=N1)OC)Cl)CCCCCS(=O)(=O)O

InChI

InChI=1S/C11H17ClN2O5S/c1-18-10-8(9(12)13-11(14-10)19-2)6-4-3-5-7-20(15,16)17/h3-7H2,1-2H3,(H,15,16,17)