2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]ethyl 2-methylpropanoate

Systemtic Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]ethyl 2-methylpropanoate Openeye Name: 2-[(4,6-dimorpholino-1,3,5-triazin-2-yl)sulfanyl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]thio]ethyl ester IUPAC Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[(4,6-dimorpholino-s-triazin-2-yl)thio]ethyl ester Formula: C17H27N5O4S MolecularWeight: 397.49238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCSC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3

Isomeric SMILES

CC(C)C(=O)OCCSC1=NC(=NC(=N1)N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C17H27N5O4S/c1-13(2)14(23)26-11-12-27-17-19-15(21-3-7-24-8-4-21)18-16(20-17)22-5-9-25-10-6-22/h13H,3-12H2,1-2H3