2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylic acid Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-pyrimidine-4-carboxylic acid CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-chloro-4-pyrimidinecarboxylic acid IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloropyrimidine-4-carboxylic acid Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-chloro-pyrimidine-4-carboxylic acid Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O2S/c1-16(2,3)11-6-4-10(5-7-11)9-22-15-18-8-12(17)13(19-15)14(20)21/h4-8H,9H2,1-3H3,(H,20,21)