methyl 5-[5-[[6-(3-iodanylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[5-[[6-(3-iodanylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Openeye Name: methyl 5-[5-[[6-(3-iodophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate CAS Name: 5-[5-[[6-(3-iodophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[5-[[6-(3-iodophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Traditional Name: 5-[5-[[6-(3-iodophenyl)-4-keto-1H-pyrimidin-2-yl]thio]pentyl]thiophene-2-carboxylic acid methyl ester Formula: C21H21IN2O3S2 MolecularWeight: 540.43751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC(=CC=C3)I

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC(=CC=C3)I

InChI

InChI=1S/C21H21IN2O3S2/c1-27-20(26)18-10-9-16(29-18)8-3-2-4-11-28-21-23-17(13-19(25)24-21)14-6-5-7-15(22)12-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,24,25)