4-[2,3-bis(chloranyl)phenyl]-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-allylsulfanyl-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2,3-dichlorophenyl)-6-methyl-2-(prop-2-enylthio)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2,3-dichlorophenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-(allylthio)-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H14Cl2N2O2S MolecularWeight: 357.25486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC=C)C2=C(C(=CC=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC=C)C2=C(C(=CC=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C15H14Cl2N2O2S/c1-3-7-22-15-18-8(2)11(14(20)21)13(19-15)9-5-4-6-10(16)12(9)17/h3-6,13H,1,7H2,2H3,(H,18,19)(H,20,21)