2-ethyl-4-[(5-ethylthiophen-2-yl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-[(5-ethylthiophen-2-yl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-[(5-ethyl-2-thienyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-[(5-ethyl-2-thiophenyl)methylthio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-[(5-ethylthiophen-2-yl)methylsulfanyl]-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(5-ethyl-2-thienyl)methylthio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CSC2=NC(=NC(=C2C(=O)O)C)CC

Isomeric SMILES

CCC1=CC=C(S1)CSC2=NC(=NC(=C2C(=O)O)C)CC

InChI

InChI=1S/C15H18N2O2S2/c1-4-10-6-7-11(21-10)8-20-14-13(15(18)19)9(3)16-12(5-2)17-14/h6-7H,4-5,8H2,1-3H3,(H,18,19)