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

Systemtic Name: 1-(2,2-dimethylpropyl)-3-[(4-phenylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine-6-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-3-[(4-phenylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine-6-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-3-[(4-phenylphenyl)methoxy]-6-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-3-[(4-phenylphenyl)methoxy]pyrazolo[3,4-d]pyrimidine-6-carbonitrile Traditional Name: 1-neopentyl-3-(4-phenylbenzyl)oxy-pyrazolo[3,4-d]pyrimidine-6-carbonitrile Formula: C24H23N5O MolecularWeight: 397.47232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2C(=N1)OCC3=CC=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2C(=N1)OCC3=CC=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H23N5O/c1-24(2,3)16-29-22-20(14-26-21(13-25)27-22)23(28-29)30-15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,14H,15-16H2,1-3H3