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

Systemtic Name: 2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]ethanesulfonic acid Openeye Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]ethanesulfonic acid CAS Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]ethanesulfonic acid Traditional Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]ethanesulfonic acid Formula: C10H17N6O7PS MolecularWeight: 396.316741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCS(=O)(=O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCS(=O)(=O)O)N

InChI

InChI=1S/C10H17N6O7PS/c11-10-14-8(12-1-4-25(20,21)22)7-9(15-10)16(5-13-7)2-3-23-6-24(17,18)19/h5H,1-4,6H2,(H2,17,18,19)(H,20,21,22)(H3,11,12,14,15)