4-[3,5-bis(chloranyl)phenyl]-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3,5-dichlorophenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3,5-dichlorophenyl)-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3,5-dichlorophenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3,5-dichlorophenyl)-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C12H10Cl2N2O2S MolecularWeight: 317.191

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=CN1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CSC1=NC(C(=CN1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H10Cl2N2O2S/c1-19-12-15-5-9(11(17)18)10(16-12)6-2-7(13)4-8(14)3-6/h2-5,10H,1H3,(H,15,16)(H,17,18)