1-(oxan-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(oxan-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-phenoxyphenyl)-1-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(4-oxanyl)-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(oxan-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-phenoxyphenyl)-1-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1COCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C22H21N5O2/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)26-27(22(19)25-14-24-21)16-10-12-28-13-11-16/h1-9,14,16H,10-13H2,(H2,23,24,25)