1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-tert-butyl-3-[3-(2-chlorobenzyl)oxyphenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C3=CC(=CC=C3)OCC4=CC=CC=C4Cl)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C3=CC(=CC=C3)OCC4=CC=CC=C4Cl)C(=NC=N2)N

InChI

InChI=1S/C22H22ClN5O/c1-22(2,3)28-21-18(20(24)25-13-26-21)19(27-28)14-8-6-9-16(11-14)29-12-15-7-4-5-10-17(15)23/h4-11,13H,12H2,1-3H3,(H2,24,25,26)