disodium 2-[[4-[(2-azanylpyrimidin-4-yl)amino]phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-arsanyl]sulfanylethanoate

Systemtic Name: disodium 2-[[4-[(2-azanylpyrimidin-4-yl)amino]phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-arsanyl]sulfanylethanoate Openeye Name: disodium 2-[[4-[(2-aminopyrimidin-4-yl)amino]phenyl]-(2-oxido-2-oxo-ethyl)sulfanyl-arsanyl]sulfanylacetate CAS Name: disodium 2-[[[4-[(2-amino-4-pyrimidinyl)amino]phenyl]-[(2-oxido-2-oxoethyl)thio]arsino]thio]acetate IUPAC Name: disodium 2-[[4-[(2-aminopyrimidin-4-yl)amino]phenyl]-(2-oxido-2-oxoethyl)sulfanylarsanyl]sulfanylacetate Traditional Name: disodium 2-[[[4-[(2-aminopyrimidin-4-yl)amino]phenyl]-[(2-keto-2-oxido-ethyl)thio]arsino]thio]acetate Formula: C14H13AsN4Na2O4S2 MolecularWeight: 486.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC=C2)N)[As](SCC(=O)[O-])SCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2)N)[As](SCC(=O)[O-])SCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H15AsN4O4S2.2Na/c16-14-17-6-5-11(19-14)18-10-3-1-9(2-4-10)15(24-7-12(20)21)25-8-13(22)23;;/h1-6H,7-8H2,(H,20,21)(H,22,23)(H3,16,17,18,19);;/q;2*+1/p-2