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

Systemtic Name: 4-[2-[[2-(2-ethylimidazol-1-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[2-(2-ethylimidazol-1-yl)-9-isopropyl-purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[2-(2-ethyl-1-imidazolyl)-9-propan-2-yl-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[2-(2-ethylimidazol-1-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[2-(2-ethylimidazol-1-yl)-9-isopropyl-purin-6-yl]amino]ethyl]phenol Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1C2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)O)N=CN3C(C)C

Isomeric SMILES

CCC1=NC=CN1C2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)O)N=CN3C(C)C

InChI

InChI=1S/C21H25N7O/c1-4-17-22-11-12-27(17)21-25-19(18-20(26-21)28(13-24-18)14(2)3)23-10-9-15-5-7-16(29)8-6-15/h5-8,11-14,29H,4,9-10H2,1-3H3,(H,23,25,26)