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

Systemtic Name: 2-[2-[(4-bromophenyl)methylamino]-6-[(phenylmethyl)amino]purin-9-yl]ethanol Openeye Name: 2-[6-(benzylamino)-2-[(4-bromophenyl)methylamino]purin-9-yl]ethanol CAS Name: 2-[2-[(4-bromophenyl)methylamino]-6-[(phenylmethyl)amino]-9-purinyl]ethanol IUPAC Name: 2-[6-(benzylamino)-2-[(4-bromophenyl)methylamino]purin-9-yl]ethanol Traditional Name: 2-[6-(benzylamino)-2-[(4-bromobenzyl)amino]purin-9-yl]ethanol Formula: C21H21BrN6O MolecularWeight: 453.33504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCO)NCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCO)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN6O/c22-17-8-6-16(7-9-17)13-24-21-26-19(23-12-15-4-2-1-3-5-15)18-20(27-21)28(10-11-29)14-25-18/h1-9,14,29H,10-13H2,(H2,23,24,26,27)