3-ethoxy-5-(5-ethynyl-2-propyl-pyridin-3-yl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-ethoxy-5-(5-ethynyl-2-propyl-pyridin-3-yl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethoxy-5-(5-ethynyl-2-propyl-3-pyridyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethoxy-5-(5-ethynyl-2-propyl-3-pyridinyl)-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethoxy-5-(5-ethynyl-2-propylpyridin-3-yl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethoxy-5-(5-ethynyl-2-propyl-3-pyridyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)OCC)CC4=CC=CC=N4

Isomeric SMILES

CCCC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)OCC)CC4=CC=CC=N4

InChI

InChI=1S/C23H22N6O2/c1-4-9-18-17(12-15(5-2)13-25-18)21-26-20-19(22(30)27-21)28-29(23(20)31-6-3)14-16-10-7-8-11-24-16/h2,7-8,10-13H,4,6,9,14H2,1,3H3,(H,26,27,30)