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

Systemtic Name: [[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]methanesulfonic acid Openeye Name: [[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]methanesulfonic acid CAS Name: [[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]methanesulfonic acid IUPAC Name: [[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]methanesulfonic acid Traditional Name: [[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]methanesulfonic acid Formula: C9H15N6O7PS MolecularWeight: 382.290161

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCS(=O)(=O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCS(=O)(=O)O)N

InChI

InChI=1S/C9H15N6O7PS/c10-9-13-7(12-4-24(19,20)21)6-8(14-9)15(3-11-6)1-2-22-5-23(16,17)18/h3H,1-2,4-5H2,(H2,16,17,18)(H,19,20,21)(H3,10,12,13,14)