N-[9-(2-chloroethyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]ethanamide

Systemtic Name: N-[9-(2-chloroethyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]ethanamide Openeye Name: N-[9-(2-chloroethyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]acetamide CAS Name: N-[9-(2-chloroethyl)-6-[2-(4-nitrophenyl)ethoxy]-2-purinyl]acetamide IUPAC Name: N-[9-(2-chloroethyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]acetamide Traditional Name: N-[9-(2-chloroethyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]acetamide Formula: C17H17ClN6O4 MolecularWeight: 404.80768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OCCC3=CC=C(C=C3)[N+](=O)[O-])N=CN2CCCl

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OCCC3=CC=C(C=C3)[N+](=O)[O-])N=CN2CCCl

InChI

InChI=1S/C17H17ClN6O4/c1-11(25)20-17-21-15-14(19-10-23(15)8-7-18)16(22-17)28-9-6-12-2-4-13(5-3-12)24(26)27/h2-5,10H,6-9H2,1H3,(H,20,21,22,25)