(5-chloranyl-4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-6-yl)methanesulfonic acid

Systemtic Name: (5-chloranyl-4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-6-yl)methanesulfonic acid Openeye Name: (5-chloro-2-isopropyl-4-oxo-1H-pyrimidin-6-yl)methanesulfonic acid CAS Name: (5-chloro-4-oxo-2-propan-2-yl-1H-pyrimidin-6-yl)methanesulfonic acid IUPAC Name: (5-chloro-4-oxo-2-propan-2-yl-1H-pyrimidin-6-yl)methanesulfonic acid Traditional Name: (5-chloro-2-isopropyl-4-keto-1H-pyrimidin-6-yl)methanesulfonic acid Formula: C8H11ClN2O4S MolecularWeight: 266.70194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C(=C(N1)CS(=O)(=O)O)Cl

Isomeric SMILES

CC(C)C1=NC(=O)C(=C(N1)CS(=O)(=O)O)Cl

InChI

InChI=1S/C8H11ClN2O4S/c1-4(2)7-10-5(3-16(13,14)15)6(9)8(12)11-7/h4H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)