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

Systemtic Name: 5-[5-[[4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[[4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[[4-oxo-6-(5-thiophen-2-yl-2-thiophenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[[4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-[[4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]pentyl]-2-thenoic acid Formula: C22H20N2O3S4 MolecularWeight: 488.6658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(S2)C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(S2)C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C22H20N2O3S4/c25-20-13-15(16-9-10-18(31-16)17-6-4-12-28-17)23-22(24-20)29-11-3-1-2-5-14-7-8-19(30-14)21(26)27/h4,6-10,12-13H,1-3,5,11H2,(H,26,27)(H,23,24,25)