2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-(phenylmethyl)amino]ethanol

Systemtic Name: 2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-(phenylmethyl)amino]ethanol Openeye Name: 2-[benzyl-[9-isopropyl-6-(p-tolylmethylamino)purin-2-yl]amino]ethanol CAS Name: 2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-yl-2-purinyl]-(phenylmethyl)amino]ethanol IUPAC Name: 2-[benzyl-[6-[(4-methylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]ethanol Traditional Name: 2-[benzyl-[9-isopropyl-6-[(4-methylbenzyl)amino]purin-2-yl]amino]ethanol Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)N(CCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)N(CCO)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N6O/c1-18(2)31-17-27-22-23(26-15-20-11-9-19(3)10-12-20)28-25(29-24(22)31)30(13-14-32)16-21-7-5-4-6-8-21/h4-12,17-18,32H,13-16H2,1-3H3,(H,26,28,29)