4-[[5-(2-ethoxy-5-ethynyl-pyridin-3-yl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-ethoxy-5-ethynyl-pyridin-3-yl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-ethoxy-5-ethynyl-3-pyridyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]methyl]benzonitrile CAS Name: 4-[[5-(2-ethoxy-5-ethynyl-3-pyridinyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]methyl]benzonitrile IUPAC Name: 4-[[5-(2-ethoxy-5-ethynylpyridin-3-yl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]methyl]benzonitrile Traditional Name: 4-[[5-(2-ethoxy-5-ethynyl-3-pyridyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]methyl]benzonitrile Formula: C24H20N6O2 MolecularWeight: 424.4546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN1CC3=CC=C(C=C3)C#N)C(=O)N=C(N2)C4=C(N=CC(=C4)C#C)OCC

Isomeric SMILES

CCC1=C2C(=NN1CC3=CC=C(C=C3)C#N)C(=O)N=C(N2)C4=C(N=CC(=C4)C#C)OCC

InChI

InChI=1S/C24H20N6O2/c1-4-15-11-18(24(26-13-15)32-6-3)22-27-20-19(5-2)30(29-21(20)23(31)28-22)14-17-9-7-16(12-25)8-10-17/h1,7-11,13H,5-6,14H2,2-3H3,(H,27,28,31)