6-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]hexanoic acid

Systemtic Name: 6-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]hexanoic acid Openeye Name: 6-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]hexanoic acid CAS Name: 6-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]hexanoic acid IUPAC Name: 6-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]hexanoic acid Traditional Name: 6-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]hexanoic acid Formula: C14H23N6O6P MolecularWeight: 402.342781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCCCC(=O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCCCC(=O)O)N

InChI

InChI=1S/C14H23N6O6P/c15-14-18-12(16-5-3-1-2-4-10(21)22)11-13(19-14)20(8-17-11)6-7-26-9-27(23,24)25/h8H,1-7,9H2,(H,21,22)(H2,23,24,25)(H3,15,16,18,19)