2-[[3-ethyl-5-(5-methylsulfonyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[3-ethyl-5-(5-methylsulfonyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[3-ethyl-5-(5-methylsulfonyl-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[3-ethyl-5-(5-methylsulfonyl-2-propoxy-3-pyridinyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[3-ethyl-5-(5-methylsulfonyl-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[3-ethyl-7-keto-5-(5-mesyl-2-propoxy-3-pyridyl)-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid Formula: C22H28N6O6S MolecularWeight: 504.55932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3CC4CCCN4C(=O)O)CC)S(=O)(=O)C

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3CC4CCCN4C(=O)O)CC)S(=O)(=O)C

InChI

InChI=1S/C22H28N6O6S/c1-4-9-34-21-15(10-14(11-23-21)35(3,32)33)19-24-17-16(5-2)26-28(18(17)20(29)25-19)12-13-7-6-8-27(13)22(30)31/h10-11,13H,4-9,12H2,1-3H3,(H,30,31)(H,24,25,29)