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

Systemtic Name: ethyl 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzoate Openeye Name: ethyl 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzoate CAS Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzoate Traditional Name: 3-[[1-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclopentyl]methyl]benzoic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CC2(CCCC2)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CC2(CCCC2)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H23N5O2/c1-2-27-19(26)15-7-5-6-14(10-15)11-20(8-3-4-9-20)24-17-16-12-23-25-18(16)22-13-21-17/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H2,21,22,23,24,25)