N-[2-butyl-7-(phenylmethyl)purin-6-yl]-3-chloranyl-benzamide

Systemtic Name: N-[2-butyl-7-(phenylmethyl)purin-6-yl]-3-chloranyl-benzamide Openeye Name: N-(7-benzyl-2-butyl-purin-6-yl)-3-chloro-benzamide CAS Name: N-[2-butyl-7-(phenylmethyl)-6-purinyl]-3-chlorobenzamide IUPAC Name: N-(7-benzyl-2-butylpurin-6-yl)-3-chlorobenzamide Traditional Name: N-(7-benzyl-2-butyl-purin-6-yl)-3-chloro-benzamide Formula: C23H22ClN5O MolecularWeight: 419.90668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)Cl)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)Cl)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5O/c1-2-3-12-19-26-21-20(29(15-25-21)14-16-8-5-4-6-9-16)22(27-19)28-23(30)17-10-7-11-18(24)13-17/h4-11,13,15H,2-3,12,14H2,1H3,(H,26,27,28,30)