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

Systemtic Name: 2-[[3-ethyl-5-(5-ethylsulfonyl-2-propoxy-phenyl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[3-ethyl-5-(5-ethylsulfonyl-2-propoxy-phenyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[3-ethyl-5-(5-ethylsulfonyl-2-propoxyphenyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[3-ethyl-5-(5-ethylsulfonyl-2-propoxyphenyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[5-(5-esyl-2-propoxy-phenyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylic acid Formula: C24H31N5O6S MolecularWeight: 517.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)CC)C2=NC(=O)C3=C(N2)C(=NN3CC4CCCN4C(=O)O)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)CC)C2=NC(=O)C3=C(N2)C(=NN3CC4CCCN4C(=O)O)CC

InChI

InChI=1S/C24H31N5O6S/c1-4-12-35-19-10-9-16(36(33,34)6-3)13-17(19)22-25-20-18(5-2)27-29(21(20)23(30)26-22)14-15-8-7-11-28(15)24(31)32/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,31,32)(H,25,26,30)