1-(2,2-dimethylpropyl)-3-ethoxy-pyrazolo[3,4-d]pyrimidine-6-carbonitrile

Systemtic Name: 1-(2,2-dimethylpropyl)-3-ethoxy-pyrazolo[3,4-d]pyrimidine-6-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-3-ethoxy-pyrazolo[3,4-d]pyrimidine-6-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-3-ethoxy-6-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-3-ethoxypyrazolo[3,4-d]pyrimidine-6-carbonitrile Traditional Name: 3-ethoxy-1-neopentyl-pyrazolo[3,4-d]pyrimidine-6-carbonitrile Formula: C13H17N5O MolecularWeight: 259.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C2=NC(=NC=C21)C#N)CC(C)(C)C

Isomeric SMILES

CCOC1=NN(C2=NC(=NC=C21)C#N)CC(C)(C)C

InChI

InChI=1S/C13H17N5O/c1-5-19-12-9-7-15-10(6-14)16-11(9)18(17-12)8-13(2,3)4/h7H,5,8H2,1-4H3