9-(3-imidazol-1-ylpropyl)-N8-naphthalen-2-yl-N6-(phenylmethyl)purine-6,8-diamine

Systemtic Name: 9-(3-imidazol-1-ylpropyl)-N8-naphthalen-2-yl-N6-(phenylmethyl)purine-6,8-diamine Openeye Name: N6-benzyl-9-(3-imidazol-1-ylpropyl)-N8-(2-naphthyl)purine-6,8-diamine CAS Name: 9-[3-(1-imidazolyl)propyl]-N8-(2-naphthalenyl)-N6-(phenylmethyl)purine-6,8-diamine IUPAC Name: 6-N-benzyl-9-(3-imidazol-1-ylpropyl)-8-N-naphthalen-2-ylpurine-6,8-diamine Traditional Name: benzyl-[9-(3-imidazol-1-ylpropyl)-8-(2-naphthylamino)purin-6-yl]amine Formula: C28H26N8 MolecularWeight: 474.55964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=C(N3CCCN4C=CN=C4)NC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=C(N3CCCN4C=CN=C4)NC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C28H26N8/c1-2-7-21(8-3-1)18-30-26-25-27(32-19-31-26)36(15-6-14-35-16-13-29-20-35)28(34-25)33-24-12-11-22-9-4-5-10-23(22)17-24/h1-5,7-13,16-17,19-20H,6,14-15,18H2,(H,33,34)(H,30,31,32)