2-[4-[(4-bromanyl-3-methyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-3-methyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(4-bromo-3-methyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-bromo-3-methylanilino)-6-chloro-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(4-bromo-3-methylanilino)-6-chloropyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-bromo-3-methyl-anilino)-6-chloro-pyrimidin-2-yl]thio]acetic acid Formula: C13H11BrClN3O2S MolecularWeight: 388.66734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)Br

InChI

InChI=1S/C13H11BrClN3O2S/c1-7-4-8(2-3-9(7)14)16-11-5-10(15)17-13(18-11)21-6-12(19)20/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18)