3-(4-chloranyl-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(4-chloranyl-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-chloro-2-sulfanyl-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(4-chloro-2-mercaptophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-chloro-2-sulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(4-chloro-2-mercapto-phenyl)-2,4-diketo-1H-pyrimidine-5-carboxylic acid Formula: C11H7ClN2O4S MolecularWeight: 298.70228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)S)N2C(=O)C(=CNC2=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)S)N2C(=O)C(=CNC2=O)C(=O)O

InChI

InChI=1S/C11H7ClN2O4S/c12-5-1-2-7(8(19)3-5)14-9(15)6(10(16)17)4-13-11(14)18/h1-4,19H,(H,13,18)(H,16,17)