5-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C13H11N2O4S- MolecularWeight: 291.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c16-11-8-2-1-3-9(8)14-13(15-11)20-6-7-4-5-10(19-7)12(17)18/h4-5H,1-3,6H2,(H,17,18)(H,14,15,16)/p-1