4-[2-[[9-propan-2-yl-2-(2-propylimidazol-1-yl)purin-6-yl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[9-propan-2-yl-2-(2-propylimidazol-1-yl)purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[9-isopropyl-2-(2-propylimidazol-1-yl)purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[9-propan-2-yl-2-(2-propyl-1-imidazolyl)-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[9-propan-2-yl-2-(2-propylimidazol-1-yl)purin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[9-isopropyl-2-(2-propylimidazol-1-yl)purin-6-yl]amino]ethyl]phenol Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CN1C2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)O)N=CN3C(C)C

Isomeric SMILES

CCCC1=NC=CN1C2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)O)N=CN3C(C)C

InChI

InChI=1S/C22H27N7O/c1-4-5-18-23-12-13-28(18)22-26-20(19-21(27-22)29(14-25-19)15(2)3)24-11-10-16-6-8-17(30)9-7-16/h6-9,12-15,30H,4-5,10-11H2,1-3H3,(H,24,26,27)