2-[2-[(5-chloranylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(5-chloranylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(5-chloropyrimidin-2-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(5-chloro-2-pyrimidinyl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(5-chloropyrimidin-2-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(5-chloropyrimidin-2-yl)amino]-2-keto-ethyl]thio]acetic acid Formula: C8H8ClN3O3S MolecularWeight: 261.68542

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=N1)NC(=O)CSCC(=O)O)Cl

Isomeric SMILES

C1=C(C=NC(=N1)NC(=O)CSCC(=O)O)Cl

InChI

InChI=1S/C8H8ClN3O3S/c9-5-1-10-8(11-2-5)12-6(13)3-16-4-7(14)15/h1-2H,3-4H2,(H,14,15)(H,10,11,12,13)