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

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]acetic acid Formula: C14H13BrClN3O2S MolecularWeight: 402.69392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

InChI=1S/C14H13BrClN3O2S/c1-7-8(2)10(4-3-9(7)15)17-12-5-11(16)18-14(19-12)22-6-13(20)21/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)