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

Systemtic Name: 5-[5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]pentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]pentyl]-2-thenoic acid Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C20H20N2O3S2/c23-18-13-16(14-7-3-1-4-8-14)21-20(22-18)26-12-6-2-5-9-15-10-11-17(27-15)19(24)25/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2,(H,24,25)(H,21,22,23)