4-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-6-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-chloro-6-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C14H13Cl2N3O3S MolecularWeight: 374.24232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)Cl)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)Cl)C(=O)O)Cl

InChI

InChI=1S/C14H13Cl2N3O3S/c1-22-9-4-3-7(5-8(9)15)6-17-12-10(13(20)21)11(16)18-14(19-12)23-2/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)