butyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: butyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid butyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H23N5O3/c1-3-4-13-31-23(29)16-5-7-17(8-6-16)27-21-20-14-26-28(22(20)25-15-24-21)18-9-11-19(30-2)12-10-18/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,27)