N-[5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-4-oxidanyl-6-oxidanylidene-1,3-diazinan-2-yl]ethanamide

Systemtic Name: N-[5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-4-oxidanyl-6-oxidanylidene-1,3-diazinan-2-yl]ethanamide Openeye Name: N-[4-hydroxy-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-oxo-hexahydropyrimidin-2-yl]acetamide CAS Name: N-[4-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-6-oxo-1,3-diazinan-2-yl]acetamide IUPAC Name: N-[4-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-6-oxo-1,3-diazinan-2-yl]acetamide Traditional Name: N-[4-hydroxy-6-keto-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]hexahydropyrimidin-2-yl]acetamide Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1NC(C(C(=O)N1)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NC1NC(C(C(=O)N1)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])O

InChI

InChI=1S/C16H22N4O6S/c1-9(21)17-16-18-14(22)11(15(23)19-16)5-6-27-8-10-3-4-13(26-2)12(7-10)20(24)25/h3-4,7,11,14,16,18,22H,5-6,8H2,1-2H3,(H,17,21)(H,19,23)