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

Systemtic Name: 3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-1-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-(2-isobutoxy-5-methylsulfonyl-phenyl)-1-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-1-(3-pyridazinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-1-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(2-isobutoxy-5-mesyl-phenyl)-1-(pyridazin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H26N6O4S MolecularWeight: 482.55534

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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=NN=CC=C4

Isomeric SMILES

CCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C)CC4=NN=CC=C4

InChI

InChI=1S/C23H26N6O4S/c1-5-18-20-21(29(28-18)12-15-7-6-10-24-27-15)23(30)26-22(25-20)17-11-16(34(4,31)32)8-9-19(17)33-13-14(2)3/h6-11,14H,5,12-13H2,1-4H3,(H,25,26,30)