1-tert-butyl-3-(3-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-tert-butyl-3-(3-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(3-benzyloxyphenyl)-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-tert-butyl-3-(3-phenylmethoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-tert-butyl-3-(3-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(3-benzoxyphenyl)-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H23N5O MolecularWeight: 373.45092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=NC=N2)N

InChI

InChI=1S/C22H23N5O/c1-22(2,3)27-21-18(20(23)24-14-25-21)19(26-27)16-10-7-11-17(12-16)28-13-15-8-5-4-6-9-15/h4-12,14H,13H2,1-3H3,(H2,23,24,25)