5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[[4-(trideuteriomethyl)-1-piperazinyl]sulfonyl]phenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazino]sulfonyl-phenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H30N6O4S MolecularWeight: 477.594885

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2C1=NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C

Isomeric SMILES

[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC(=O)C4C(=N3)C(=NN4C)CCC

InChI

InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14,20H,5-7,10-13H2,1-4H3/i3D3