5-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O4S/c1-14(2,3)10-6-11(17)16-13(15-10)21-7-8-4-5-9(20-8)12(18)19/h4-6H,7H2,1-3H3,(H,18,19)(H,15,16,17)/p-1