1-phosphono-2-(pyrimidin-2-ylamino)ethanesulfonic acid

Systemtic Name: 1-phosphono-2-(pyrimidin-2-ylamino)ethanesulfonic acid Openeye Name: 1-phosphono-2-(pyrimidin-2-ylamino)ethanesulfonic acid CAS Name: 1-phosphono-2-(2-pyrimidinylamino)ethanesulfonic acid IUPAC Name: 1-phosphono-2-(pyrimidin-2-ylamino)ethanesulfonic acid Traditional Name: 1-phosphono-2-(2-pyrimidylamino)ethanesulfonic acid Formula: C6H10N3O6PS MolecularWeight: 283.198861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C6H10N3O6PS/c10-16(11,12)5(17(13,14)15)4-9-6-7-2-1-3-8-6/h1-3,5H,4H2,(H,7,8,9)(H2,10,11,12)(H,13,14,15)