2-[[4-[(2-azanylpyrimidin-4-yl)amino]phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylethanoic acid

Systemtic Name: 2-[[4-[(2-azanylpyrimidin-4-yl)amino]phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylethanoic acid Openeye Name: 2-[[4-[(2-aminopyrimidin-4-yl)amino]phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid CAS Name: 2-[[[4-[(2-amino-4-pyrimidinyl)amino]phenyl]-(carboxymethylthio)arsino]thio]acetic acid IUPAC Name: 2-[[4-[(2-aminopyrimidin-4-yl)amino]phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid Traditional Name: 2-[[[4-[(2-aminopyrimidin-4-yl)amino]phenyl]-(carboxymethylthio)arsino]thio]acetic acid Formula: C14H15AsN4O4S2 MolecularWeight: 442.3449

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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

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2)N)[As](SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C14H15AsN4O4S2/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)