5-[5-[[4-oxidanylidene-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-[[4-oxidanylidene-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[[4-oxo-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[[4-oxo-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[[4-oxo-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-[[4-keto-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thenoic acid Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C26H24N2O4S2/c29-24-17-22(18-10-12-20(13-11-18)32-19-7-3-1-4-8-19)27-26(28-24)33-16-6-2-5-9-21-14-15-23(34-21)25(30)31/h1,3-4,7-8,10-15,17H,2,5-6,9,16H2,(H,30,31)(H,27,28,29)