3-[4-[(3,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(3,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[(3,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-[(3,4-dimethoxyphenyl)methylamino]-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[(3,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-(veratrylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C21H18N6O2 MolecularWeight: 386.40662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C21H18N6O2/c1-28-18-7-6-15(9-19(18)29-2)11-23-20-17-12-26-27(21(17)25-13-24-20)16-5-3-4-14(8-16)10-22/h3-9,12-13H,11H2,1-2H3,(H,23,24,25)