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

Systemtic Name: 3-(4-phenoxyphenyl)-1-pyrrolidin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-phenoxyphenyl)-1-pyrrolidin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-phenoxyphenyl)-1-(3-pyrrolidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-phenoxyphenyl)-1-pyrrolidin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20N6O MolecularWeight: 372.4231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1CNCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C21H20N6O/c22-20-18-19(26-27(15-10-11-23-12-15)21(18)25-13-24-20)14-6-8-17(9-7-14)28-16-4-2-1-3-5-16/h1-9,13,15,23H,10-12H2,(H2,22,24,25)