3-[2-cyclopentyl-6-(prop-2-enylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile

Systemtic Name: 3-[2-cyclopentyl-6-(prop-2-enylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile Openeye Name: 3-[6-(allylamino)-2-cyclopentyl-pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxo-indoline-5-carbonitrile CAS Name: 3-[2-cyclopentyl-6-(prop-2-enylamino)-4-pyrazolo[3,4-d]pyrimidinyl]-2-oxo-1,3-dihydroindole-5-carbonitrile IUPAC Name: 3-[2-cyclopentyl-6-(prop-2-enylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile Traditional Name: 3-[6-(allylamino)-2-cyclopentyl-pyrazolo[3,4-d]pyrimidin-4-yl]-2-keto-indoline-5-carbonitrile Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=NN(C=C2C(=N1)C3C4=C(C=CC(=C4)C#N)NC3=O)C5CCCC5

Isomeric SMILES

C=CCNC1=NC2=NN(C=C2C(=N1)C3C4=C(C=CC(=C4)C#N)NC3=O)C5CCCC5

InChI

InChI=1S/C22H21N7O/c1-2-9-24-22-26-19(16-12-29(28-20(16)27-22)14-5-3-4-6-14)18-15-10-13(11-23)7-8-17(15)25-21(18)30/h2,7-8,10,12,14,18H,1,3-6,9H2,(H,25,30)(H,24,27,28)