4-[2-[[2-(6-fluoranylpyridin-3-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[2-(6-fluoranylpyridin-3-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[2-(6-fluoro-3-pyridyl)-9-isopropyl-purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[2-(6-fluoro-3-pyridinyl)-9-propan-2-yl-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[2-(6-fluoropyridin-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[2-(6-fluoro-3-pyridyl)-9-isopropyl-purin-6-yl]amino]ethyl]phenol Formula: C21H21FN6O MolecularWeight: 392.429443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CN=C(C=C4)F

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CN=C(C=C4)F

InChI

InChI=1S/C21H21FN6O/c1-13(2)28-12-25-18-20(23-10-9-14-3-6-16(29)7-4-14)26-19(27-21(18)28)15-5-8-17(22)24-11-15/h3-8,11-13,29H,9-10H2,1-2H3,(H,23,26,27)