[[4-[[(2-azanylpyrimidin-4-yl)amino]disulfanyl]phenyl]-(2-sulfanylethanoyloxy)arsanyl] 2-sulfanylethanoate

Systemtic Name: [[4-[[(2-azanylpyrimidin-4-yl)amino]disulfanyl]phenyl]-(2-sulfanylethanoyloxy)arsanyl] 2-sulfanylethanoate Openeye Name: [[4-[[(2-aminopyrimidin-4-yl)amino]disulfanyl]phenyl]-(2-sulfanylacetyl)oxy-arsanyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [[4-[[(2-amino-4-pyrimidinyl)amino]disulfanyl]phenyl]-(2-mercapto-1-oxoethoxy)arsino] ester IUPAC Name: [[4-[[(2-aminopyrimidin-4-yl)amino]disulfanyl]phenyl]-(2-sulfanylacetyl)oxyarsanyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [[4-[[(2-aminopyrimidin-4-yl)amino]disulfanyl]phenyl]-(2-mercaptoacetyl)oxy-arsino] ester Formula: C14H15AsN4O4S4 MolecularWeight: 506.4749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SSNC2=NC(=NC=C2)N)[As](OC(=O)CS)OC(=O)CS

Isomeric SMILES

C1=CC(=CC=C1SSNC2=NC(=NC=C2)N)[As](OC(=O)CS)OC(=O)CS

InChI

InChI=1S/C14H15AsN4O4S4/c16-14-17-6-5-11(18-14)19-27-26-10-3-1-9(2-4-10)15(22-12(20)7-24)23-13(21)8-25/h1-6,24-25H,7-8H2,(H3,16,17,18,19)