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

Systemtic Name: 1-tert-butyl-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-tert-butyl-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-tert-butyl-3-(3-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-tert-butyl-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-tert-butyl-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=NC=N2)N

InChI

InChI=1S/C21H21N5O/c1-21(2,3)26-20-17(19(22)23-13-24-20)18(25-26)14-8-7-11-16(12-14)27-15-9-5-4-6-10-15/h4-13H,1-3H3,(H2,22,23,24)