benzenesulfonic acid; 5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: benzenesulfonic acid; 5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one; benzenesulfonic acid CAS Name: 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-ethyl-3-azetidinyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one; benzenesulfonic acid IUPAC Name: 5-(5-acetyl-2-butoxypyridin-3-yl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one; benzenesulfonic acid Traditional Name: 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one; besylic acid Formula: C29H36N6O6S MolecularWeight: 596.69774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)CC)C(=O)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)CC)C(=O)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C23H30N6O3.C6H6O3S/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21;7-10(8,9)6-4-2-1-3-5-6/h10-11,16H,5-9,12-13H2,1-4H3,(H,25,26,31);1-5H,(H,7,8,9)