2-[(5-bromanylpyrimidin-2-yl)amino]-2-(3-methyl-5-methylsulfanyl-furan-2-yl)ethanoic acid

Systemtic Name: 2-[(5-bromanylpyrimidin-2-yl)amino]-2-(3-methyl-5-methylsulfanyl-furan-2-yl)ethanoic acid Openeye Name: 2-[(5-bromopyrimidin-2-yl)amino]-2-(3-methyl-5-methylsulfanyl-2-furyl)acetic acid CAS Name: 2-[(5-bromo-2-pyrimidinyl)amino]-2-[3-methyl-5-(methylthio)-2-furanyl]acetic acid IUPAC Name: 2-[(5-bromopyrimidin-2-yl)amino]-2-(3-methyl-5-methylsulfanylfuran-2-yl)acetic acid Traditional Name: 2-[(5-bromopyrimidin-2-yl)amino]-2-[3-methyl-5-(methylthio)-2-furyl]acetic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)SC)C(C(=O)O)NC2=NC=C(C=N2)Br

Isomeric SMILES

CC1=C(OC(=C1)SC)C(C(=O)O)NC2=NC=C(C=N2)Br

InChI

InChI=1S/C12H12BrN3O3S/c1-6-3-8(20-2)19-10(6)9(11(17)18)16-12-14-4-7(13)5-15-12/h3-5,9H,1-2H3,(H,17,18)(H,14,15,16)