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Isonaamidine A

View entire compound with spectra: 1 MS (GC)

Isonaamidine A
SpectraBase Compound ID CBJRlk1PDee
InChI InChI=1S/C21H19N5O4/c1-25-19(29)18(24-21(25)30)23-20-22-15(10-13-2-6-16(27)7-3-13)12-26(20)11-14-4-8-17(28)9-5-14/h2-9,12,27-28H,10-11H2,1H3,(H,22,23,24,30)
InChIKey MQJROUNNFORFQI-UHFFFAOYSA-N
Mol Weight 405.41 g/mol
Molecular Formula C21H19N5O4
Exact Mass 405.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck72bHV5fTi
Name Isonaamidine A
Alternate Name(s) 5-[[1,4-bis[(4-hydroxyphenyl)methyl]-2-imidazolyl]amino]-3-methylimidazole-2,4-dione 5-[[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]amino]-3-methylimidazole-2,4-dione 5-[[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]amino]-3-methyl-imidazole-2,4-dione
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Formula C21H19N5O4
InChI InChI=1S/C21H19N5O4/c1-25-19(29)18(24-21(25)30)23-20-22-15(10-13-2-6-16(27)7-3-13)12-26(20)11-14-4-8-17(28)9-5-14/h2-9,12,27-28H,10-11H2,1H3,(H,22,23,24,30)
InChIKey MQJROUNNFORFQI-UHFFFAOYSA-N
Molecular Weight 405.414 g/mol
SMILES N(c1[n](Cc2ccc(cc2)O)cc(n1)Cc1ccc(cc1)O)C1=NC(N(C)C1=O)=O
SPLASH splash10-052b-1390400000-d928a2ad0309db203546
Source of Spectrum O1-60-595-9
Wiley ID 1591939