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

Systemtic Name: 3-[4-[[3,4-bis(2-methoxyethoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[[3,4-bis(2-methoxyethoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-[[3,4-bis(2-methoxyethoxy)phenyl]methylamino]-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[[3,4-bis(2-methoxyethoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-[[3,4-bis(2-methoxyethoxy)benzyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C25H26N6O4 MolecularWeight: 474.51174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OCCOC

Isomeric SMILES

COCCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OCCOC

InChI

InChI=1S/C25H26N6O4/c1-32-8-10-34-22-7-6-19(13-23(22)35-11-9-33-2)15-27-24-21-16-30-31(25(21)29-17-28-24)20-5-3-4-18(12-20)14-26/h3-7,12-13,16-17H,8-11,15H2,1-2H3,(H,27,28,29)