4-[2-[[9-(oxolan-3-yl)-2-pyridin-3-yl-purin-6-yl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[9-(oxolan-3-yl)-2-pyridin-3-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[2-(3-pyridyl)-9-tetrahydrofuran-3-yl-purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[9-(3-oxolanyl)-2-(3-pyridinyl)-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[9-(oxolan-3-yl)-2-pyridin-3-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[2-(3-pyridyl)-9-tetrahydrofuran-3-yl-purin-6-yl]amino]ethyl]phenol Formula: C22H22N6O2 MolecularWeight: 402.44908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC1N2C=NC3=C2N=C(N=C3NCCC4=CC=C(C=C4)O)C5=CN=CC=C5

Isomeric SMILES

C1COCC1N2C=NC3=C2N=C(N=C3NCCC4=CC=C(C=C4)O)C5=CN=CC=C5

InChI

InChI=1S/C22H22N6O2/c29-18-5-3-15(4-6-18)7-10-24-21-19-22(28(14-25-19)17-8-11-30-13-17)27-20(26-21)16-2-1-9-23-12-16/h1-6,9,12,14,17,29H,7-8,10-11,13H2,(H,24,26,27)