4-methyl-6-phenethylsulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-phenethylsulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(phenethylthio)-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-phenethylsulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(phenethylthio)pyrimidine-5-carboxylic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-11(2)15-18-12(3)14(17(20)21)16(19-15)22-10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,20,21)