4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-tert-butylphenyl)methylthio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-12(2)17-21-13(3)16(19(23)24)18(22-17)25-11-14-7-9-15(10-8-14)20(4,5)6/h7-10,12H,11H2,1-6H3,(H,23,24)