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

Systemtic Name: 5-[5-[[6-(2-morpholin-4-ylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[[6-(2-morpholinophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[[6-[2-(4-morpholinyl)phenyl]-4-oxo-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[[6-(2-morpholin-4-ylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-[[4-keto-6-(2-morpholinophenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thenoic acid Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=CC=C2C3=CC(=O)N=C(N3)SCCCCCC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C24H27N3O4S2/c28-22-16-19(18-7-3-4-8-20(18)27-11-13-31-14-12-27)25-24(26-22)32-15-5-1-2-6-17-9-10-21(33-17)23(29)30/h3-4,7-10,16H,1-2,5-6,11-15H2,(H,29,30)(H,25,26,28)