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

Systemtic Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxy-phenyl)-1-(piperidin-1-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxy-phenyl)-1-(1-piperidylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxyphenyl)-1-(1-piperidinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxyphenyl)-1-(piperidin-1-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-mesyl-2-propoxy-phenyl)-1-(piperidinomethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3CN4CCCCC4)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3CN4CCCCC4)CC

InChI

InChI=1S/C23H31N5O4S/c1-4-13-32-19-10-9-16(33(3,30)31)14-17(19)22-24-20-18(5-2)26-28(21(20)23(29)25-22)15-27-11-7-6-8-12-27/h9-10,14H,4-8,11-13,15H2,1-3H3,(H,24,25,29)