ethyl 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-(4,6-dimorpholinopyrimidin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: 2-[[4,6-bis(4-morpholinyl)-2-pyrimidinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(4,6-dimorpholinopyrimidin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C22H28N4O4S/c1-2-30-21(27)20(17-6-4-3-5-7-17)31-22-23-18(25-8-12-28-13-9-25)16-19(24-22)26-10-14-29-15-11-26/h3-7,16,20H,2,8-15H2,1H3