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

Systemtic Name: 4-methyl-6-(3-phenylpropylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-(3-phenylpropylsulfanyl)-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(3-phenylpropylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(3-phenylpropylsulfanyl)-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-(3-phenylpropylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C19H18N2O2S2 MolecularWeight: 370.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N2O2S2/c1-13-16(19(22)23)18(21-17(20-13)15-10-6-11-24-15)25-12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11H,5,9,12H2,1H3,(H,22,23)