5-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-oxo-6-(2-thienyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-keto-6-(2-thienyl)-1H-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C14H10N2O4S2 MolecularWeight: 334.3702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C14H10N2O4S2/c17-12-6-9(11-2-1-5-21-11)15-14(16-12)22-7-8-3-4-10(20-8)13(18)19/h1-6H,7H2,(H,18,19)(H,15,16,17)