3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzenecarbonitrile Openeye Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzonitrile CAS Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzonitrile IUPAC Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzonitrile Traditional Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzonitrile Formula: C18H18N6 MolecularWeight: 318.37572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=CC=CC(=C2)C#N)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCC(C1)(CC2=CC=CC(=C2)C#N)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H18N6/c19-10-14-5-3-4-13(8-14)9-18(6-1-2-7-18)23-16-15-11-22-24-17(15)21-12-20-16/h3-5,8,11-12H,1-2,6-7,9H2,(H2,20,21,22,23,24)