4-methyl-6-(3-phenylpropylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(3-phenylpropylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(3-phenylpropylthio)-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(3-phenylpropylsulfanyl)-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(3-phenylpropylthio)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(C)C)SCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-12(2)16-19-13(3)15(18(21)22)17(20-16)23-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,22)