4-[3,5-bis(chloranyl)phenyl]-6-ethyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-6-ethyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C14H14Cl2N2O2S MolecularWeight: 345.24416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N=C(N1)SC)C2=CC(=CC(=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(N=C(N1)SC)C2=CC(=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H14Cl2N2O2S/c1-3-10-11(13(19)20)12(18-14(17-10)21-2)7-4-8(15)6-9(16)5-7/h4-6,12H,3H2,1-2H3,(H,17,18)(H,19,20)