2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-amino-6-chloro-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-amino-6-chloropyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]acetic acid Formula: C6H6ClN3O2S MolecularWeight: 219.64874

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1Cl)SCC(=O)O)N

Isomeric SMILES

C1=C(N=C(N=C1Cl)SCC(=O)O)N

InChI

InChI=1S/C6H6ClN3O2S/c7-3-1-4(8)10-6(9-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,8,9,10)