N,9-bis[(3-bromophenyl)methyl]-N-(phenylmethyl)purin-6-amine

Systemtic Name: N,9-bis[(3-bromophenyl)methyl]-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-N,9-bis[(3-bromophenyl)methyl]purin-6-amine CAS Name: N,9-bis[(3-bromophenyl)methyl]-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-N,9-bis[(3-bromophenyl)methyl]purin-6-amine Traditional Name: benzyl-(3-bromobenzyl)-[9-(3-bromobenzyl)purin-6-yl]amine Formula: C26H21Br2N5 MolecularWeight: 563.28644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)Br)C3=NC=NC4=C3N=CN4CC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)Br)C3=NC=NC4=C3N=CN4CC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H21Br2N5/c27-22-10-4-8-20(12-22)15-32(14-19-6-2-1-3-7-19)25-24-26(30-17-29-25)33(18-31-24)16-21-9-5-11-23(28)13-21/h1-13,17-18H,14-16H2