2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]-1-phenyl-ethanol

Systemtic Name: 2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]-1-phenyl-ethanol Openeye Name: 2-[[9-isopropyl-6-(p-tolylmethylamino)purin-2-yl]amino]-1-phenyl-ethanol CAS Name: 2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-1-phenylethanol IUPAC Name: 2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]-1-phenylethanol Traditional Name: 2-[[9-isopropyl-6-[(4-methylbenzyl)amino]purin-2-yl]amino]-1-phenyl-ethanol Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)NCC(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C24H28N6O/c1-16(2)30-15-27-21-22(25-13-18-11-9-17(3)10-12-18)28-24(29-23(21)30)26-14-20(31)19-7-5-4-6-8-19/h4-12,15-16,20,31H,13-14H2,1-3H3,(H2,25,26,28,29)