N-(1H-benzimidazol-2-ylmethyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-[6-(benzylamino)purin-9-yl]acetamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[6-[(phenylmethyl)amino]-9-purinyl]acetamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-[6-(benzylamino)purin-9-yl]acetamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[6-(benzylamino)purin-9-yl]acetamide Formula: C22H20N8O MolecularWeight: 412.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3CC(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3CC(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H20N8O/c31-19(23-11-18-28-16-8-4-5-9-17(16)29-18)12-30-14-27-20-21(25-13-26-22(20)30)24-10-15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,23,31)(H,28,29)(H,24,25,26)