6-(2-nitrophenoxy)-9-(2-phenylmethoxyethoxymethyl)purin-2-amine

Systemtic Name: 6-(2-nitrophenoxy)-9-(2-phenylmethoxyethoxymethyl)purin-2-amine Openeye Name: 9-(2-benzyloxyethoxymethyl)-6-(2-nitrophenoxy)purin-2-amine CAS Name: 6-(2-nitrophenoxy)-9-(2-phenylmethoxyethoxymethyl)-2-purinamine IUPAC Name: 6-(2-nitrophenoxy)-9-(2-phenylmethoxyethoxymethyl)purin-2-amine Traditional Name: [9-(2-benzoxyethoxymethyl)-6-(2-nitrophenoxy)purin-2-yl]amine Formula: C21H20N6O5 MolecularWeight: 436.4207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCOCN2C=NC3=C2N=C(N=C3OC4=CC=CC=C4[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COCCOCN2C=NC3=C2N=C(N=C3OC4=CC=CC=C4[N+](=O)[O-])N

InChI

InChI=1S/C21H20N6O5/c22-21-24-19-18(20(25-21)32-17-9-5-4-8-16(17)27(28)29)23-13-26(19)14-31-11-10-30-12-15-6-2-1-3-7-15/h1-9,13H,10-12,14H2,(H2,22,24,25)