4-[[(4-hydroxyphenyl)methyl-(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]methyl]phenol

Systemtic Name: 4-[[(4-hydroxyphenyl)methyl-(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]methyl]phenol Openeye Name: 4-[[(4-hydroxyphenyl)methyl-(2-iodo-9-isopropyl-purin-6-yl)amino]methyl]phenol CAS Name: 4-[[(4-hydroxyphenyl)methyl-(2-iodo-9-propan-2-yl-6-purinyl)amino]methyl]phenol IUPAC Name: 4-[[(4-hydroxyphenyl)methyl-(2-iodo-9-propan-2-ylpurin-6-yl)amino]methyl]phenol Traditional Name: 4-[[(4-hydroxybenzyl)-(2-iodo-9-isopropyl-purin-6-yl)amino]methyl]phenol Formula: C22H22IN5O2 MolecularWeight: 515.34685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N(CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)I

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N(CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)I

InChI

InChI=1S/C22H22IN5O2/c1-14(2)28-13-24-19-20(25-22(23)26-21(19)28)27(11-15-3-7-17(29)8-4-15)12-16-5-9-18(30)10-6-16/h3-10,13-14,29-30H,11-12H2,1-2H3