4-[(4-cyanophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-cyanophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-cyanophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-cyanophenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-cyanophenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-cyanobenzyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H13N3O2S/c1-9-13(15(19)20)14(18-10(2)17-9)21-8-12-5-3-11(7-16)4-6-12/h3-6H,8H2,1-2H3,(H,19,20)