5-(2-butoxy-5-ethynyl-pyridin-3-yl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-butoxy-5-ethynyl-pyridin-3-yl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(2-butoxy-5-ethynyl-3-pyridyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(2-butoxy-5-ethynyl-3-pyridinyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(2-butoxy-5-ethynylpyridin-3-yl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(2-butoxy-5-ethynyl-3-pyridyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC

Isomeric SMILES

CCCCOC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC

InChI

InChI=1S/C21H25N5O3/c1-5-8-10-29-21-15(12-14(6-2)13-22-21)19-23-17-16(7-3)26(9-11-28-4)25-18(17)20(27)24-19/h2,12-13H,5,7-11H2,1,3-4H3,(H,23,24,27)