2-[[(2-chloranyl-9-propan-2-yl-purin-6-yl)-[(2-hydroxyphenyl)methyl]amino]methyl]phenol

Systemtic Name: 2-[[(2-chloranyl-9-propan-2-yl-purin-6-yl)-[(2-hydroxyphenyl)methyl]amino]methyl]phenol Openeye Name: 2-[[(2-chloro-9-isopropyl-purin-6-yl)-[(2-hydroxyphenyl)methyl]amino]methyl]phenol CAS Name: 2-[[(2-chloro-9-propan-2-yl-6-purinyl)-[(2-hydroxyphenyl)methyl]amino]methyl]phenol IUPAC Name: 2-[[(2-chloro-9-propan-2-ylpurin-6-yl)-[(2-hydroxyphenyl)methyl]amino]methyl]phenol Traditional Name: 2-[[(2-chloro-9-isopropyl-purin-6-yl)-salicyl-amino]methyl]phenol Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N(CC3=CC=CC=C3O)CC4=CC=CC=C4O)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N(CC3=CC=CC=C3O)CC4=CC=CC=C4O)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-14(2)28-13-24-19-20(25-22(23)26-21(19)28)27(11-15-7-3-5-9-17(15)29)12-16-8-4-6-10-18(16)30/h3-10,13-14,29-30H,11-12H2,1-2H3