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

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-tert-butylphenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-11-15(17(21)22)16(20-12(2)19-11)23-10-13-6-8-14(9-7-13)18(3,4)5/h6-9H,10H2,1-5H3,(H,21,22)