3-[4-[2-(2-methoxyethoxy)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-(2-methoxyethoxy)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[2-(2-methoxyethoxy)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-[2-(2-methoxyethoxy)ethylamino]-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[2-(2-methoxyethoxy)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-[2-(2-methoxyethoxy)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C17H18N6O2 MolecularWeight: 338.36382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCCNC1=NC=NC2=C1C=NN2C3=CC=CC(=C3)C#N

Isomeric SMILES

COCCOCCNC1=NC=NC2=C1C=NN2C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H18N6O2/c1-24-7-8-25-6-5-19-16-15-11-22-23(17(15)21-12-20-16)14-4-2-3-13(9-14)10-18/h2-4,9,11-12H,5-8H2,1H3,(H,19,20,21)