3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-(2-isobutoxy-5-methylsulfonyl-phenyl)-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-1-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(2-isobutoxy-5-mesyl-phenyl)-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C)CC4=CC=CC=N4

Isomeric SMILES

CCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C)CC4=CC=CC=N4

InChI

InChI=1S/C24H27N5O4S/c1-5-19-21-22(29(28-19)13-16-8-6-7-11-25-16)24(30)27-23(26-21)18-12-17(34(4,31)32)9-10-20(18)33-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,26,27,30)