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

Systemtic Name: 4-[2-[[2-(4-chloranylpyridin-3-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[2-(4-chloro-3-pyridyl)-9-isopropyl-purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[2-(4-chloro-3-pyridinyl)-9-propan-2-yl-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[2-(4-chloropyridin-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[2-(4-chloro-3-pyridyl)-9-isopropyl-purin-6-yl]amino]ethyl]phenol Formula: C21H21ClN6O MolecularWeight: 408.88404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6O/c1-13(2)28-12-25-18-20(24-10-7-14-3-5-15(29)6-4-14)26-19(27-21(18)28)16-11-23-9-8-17(16)22/h3-6,8-9,11-13,29H,7,10H2,1-2H3,(H,24,26,27)