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N-[2-[6-[(Z)-[1-(4-iodophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methyl-acetamide
SpectraBase Compound ID L0PjdfFZV3s
InChI InChI=1S/C24H22IN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-
InChIKey YGNCKOYHGZARPN-WQRHYEAKSA-N
Mol Weight 591.36 g/mol
Molecular Formula C24H22IN3O7
Exact Mass 591.050245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJZLeHKBarO
Name N-[2-[6-[(Z)-[1-(4-iodophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methyl-acetamide
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Formula C24H22IN3O7
InChI InChI=1S/C24H22IN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-
InChIKey YGNCKOYHGZARPN-WQRHYEAKSA-N
Molecular Weight 591.358 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)I)=O)=C/c1c(c2OCOc2cc1CCN(C(=O)C)C)OC)=O
SPLASH splash10-0006-9111000000-24589f2994977100ad58
Synonyms N-[2-[6-[(Z)-[1-(4-iodophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylacetamide N-[2-[6-[(Z)-[1-(4-iodophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methyl-acetamide N-[2-[6-[(Z)-[1-(4-iodophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methyl-ethanamide
Wiley ID 1455193