2-[[(2-hydroxyphenyl)methyl-[2-(3-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol

Systemtic Name: 2-[[(2-hydroxyphenyl)methyl-[2-(3-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol Openeye Name: 2-[[(2-hydroxyphenyl)methyl-[2-(3-hydroxypropylamino)-9-isopropyl-purin-6-yl]amino]methyl]phenol CAS Name: 2-[[(2-hydroxyphenyl)methyl-[2-(3-hydroxypropylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol IUPAC Name: 2-[[(2-hydroxyphenyl)methyl-[2-(3-hydroxypropylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol Traditional Name: 2-[[[2-(3-hydroxypropylamino)-9-isopropyl-purin-6-yl]-salicyl-amino]methyl]phenol Formula: C25H30N6O3 MolecularWeight: 462.5441

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O3/c1-17(2)31-16-27-22-23(28-25(29-24(22)31)26-12-7-13-32)30(14-18-8-3-5-10-20(18)33)15-19-9-4-6-11-21(19)34/h3-6,8-11,16-17,32-34H,7,12-15H2,1-2H3,(H,26,28,29)