1-cyclopentyl-3-ethyl-6-[3-(2-thiomorpholin-4-ylethoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-cyclopentyl-3-ethyl-6-[3-(2-thiomorpholin-4-ylethoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-3-ethyl-6-[3-(2-thiomorpholinoethoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-3-ethyl-6-[3-(2-thiomorpholin-4-ylethoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-3-ethyl-6-[3-(2-thiomorpholin-4-ylethoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-3-ethyl-6-[3-(2-thiomorpholinoethoxy)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)C3=CC(=CC=C3)OCCN4CCSCC4)N(N1)C5CCCC5

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)C3=CC(=CC=C3)OCCN4CCSCC4)N(N1)C5CCCC5

InChI

InChI=1S/C24H31N5O2S/c1-2-20-21-23(29(27-20)18-7-3-4-8-18)25-22(26-24(21)30)17-6-5-9-19(16-17)31-13-10-28-11-14-32-15-12-28/h5-6,9,16,18,27H,2-4,7-8,10-15H2,1H3