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

Systemtic Name: butyl 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: butyl 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid butyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c1-2-3-13-29-22(28)16-9-11-17(12-10-16)26-20-19-14-25-27(21(19)24-15-23-20)18-7-5-4-6-8-18/h4-12,14-15H,2-3,13H2,1H3,(H,23,24,26)