9-[2-[bis[(4-nitrophenyl)methoxy]phosphorylmethoxy]ethyl]purin-6-amine

Systemtic Name: 9-[2-[bis[(4-nitrophenyl)methoxy]phosphorylmethoxy]ethyl]purin-6-amine Openeye Name: 9-[2-[bis[(4-nitrophenyl)methoxy]phosphorylmethoxy]ethyl]purin-6-amine CAS Name: 9-[2-[bis[(4-nitrophenyl)methoxy]phosphorylmethoxy]ethyl]-6-purinamine IUPAC Name: 9-[2-[bis[(4-nitrophenyl)methoxy]phosphorylmethoxy]ethyl]purin-6-amine Traditional Name: [9-[2-[bis[(4-nitrobenzyl)oxy]phosphorylmethoxy]ethyl]purin-6-yl]amine Formula: C22H22N7O8P MolecularWeight: 543.425941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COP(=O)(COCCN2C=NC3=C2N=CN=C3N)OCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COP(=O)(COCCN2C=NC3=C2N=CN=C3N)OCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N7O8P/c23-21-20-22(25-13-24-21)27(14-26-20)9-10-35-15-38(34,36-11-16-1-5-18(6-2-16)28(30)31)37-12-17-3-7-19(8-4-17)29(32)33/h1-8,13-14H,9-12,15H2,(H2,23,24,25)