2-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CSCCNC(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CSCCNC(=O)C2CCCCC2C(=O)O)OC

InChI

InChI=1S/C17H25N3O5S/c1-24-14-9-15(25-2)20-13(19-14)10-26-8-7-18-16(21)11-5-3-4-6-12(11)17(22)23/h9,11-12H,3-8,10H2,1-2H3,(H,18,21)(H,22,23)