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

Systemtic Name: methyl 5-[5-[[6-(2-morpholin-4-ylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Openeye Name: methyl 5-[5-[[6-(2-morpholinophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate CAS Name: 5-[5-[[6-[2-(4-morpholinyl)phenyl]-4-oxo-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[5-[[6-(2-morpholin-4-ylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Traditional Name: 5-[5-[[4-keto-6-(2-morpholinophenyl)-1H-pyrimidin-2-yl]thio]pentyl]thiophene-2-carboxylic acid methyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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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=C3N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C25H29N3O4S2/c1-31-24(30)22-11-10-18(34-22)7-3-2-6-16-33-25-26-20(17-23(29)27-25)19-8-4-5-9-21(19)28-12-14-32-15-13-28/h4-5,8-11,17H,2-3,6-7,12-16H2,1H3,(H,26,27,29)