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

Systemtic Name: 3-[4-[(3,4-diethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[(3,4-diethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-[(3,4-diethoxyphenyl)methylamino]-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[(3,4-diethoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-[(3,4-diethoxybenzyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OCC

InChI

InChI=1S/C23H22N6O2/c1-3-30-20-9-8-17(11-21(20)31-4-2)13-25-22-19-14-28-29(23(19)27-15-26-22)18-7-5-6-16(10-18)12-24/h5-11,14-15H,3-4,13H2,1-2H3,(H,25,26,27)