tert-butyl 3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylate CAS Name: 3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylate Traditional Name: 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C25H26N6O3 MolecularWeight: 458.51234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C25H26N6O3/c1-25(2,3)34-24(32)30-13-17(14-30)31-23-20(22(26)27-15-28-23)21(29-31)16-9-11-19(12-10-16)33-18-7-5-4-6-8-18/h4-12,15,17H,13-14H2,1-3H3,(H2,26,27,28)