4-butylsulfanyl-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: 4-butylsulfanyl-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: 4-butylsulfanyl-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-(butylthio)-6-methyl-2-thiophen-2-yl-5-pyrimidinecarboxylate IUPAC Name: 4-butylsulfanyl-6-methyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(butylthio)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate Formula: C14H15N2O2S2- MolecularWeight: 307.4111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2=CC=CS2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2=CC=CS2

InChI

InChI=1S/C14H16N2O2S2/c1-3-4-7-20-13-11(14(17)18)9(2)15-12(16-13)10-6-5-8-19-10/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)/p-1