2-[(5-bromanylpyrimidin-2-yl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(5-bromanylpyrimidin-2-yl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-[(5-bromopyrimidin-2-yl)amino]-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-[(5-bromo-2-pyrimidinyl)amino]-2-[5-[(methylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-[(5-bromopyrimidin-2-yl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-[(5-bromopyrimidin-2-yl)amino]-2-[5-[(methylthio)methyl]-2-furyl]acetic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(C(=O)O)NC2=NC=C(C=N2)Br

Isomeric SMILES

CSCC1=CC=C(O1)C(C(=O)O)NC2=NC=C(C=N2)Br

InChI

InChI=1S/C12H12BrN3O3S/c1-20-6-8-2-3-9(19-8)10(11(17)18)16-12-14-4-7(13)5-15-12/h2-5,10H,6H2,1H3,(H,17,18)(H,14,15,16)