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

Systemtic Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(4,6-dimorpholino-1,3,5-triazin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4,6-dimorpholino-s-triazin-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H22N6O5S/c26-16(14-1-3-15(4-2-14)25(27)28)13-31-19-21-17(23-5-9-29-10-6-23)20-18(22-19)24-7-11-30-12-8-24/h1-4H,5-13H2