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2-{[N-1'-(1H-Imidazol-4''-yl)-2'-propylimino]-(5"'-pyrimidinyl)methyl}-phenol
SpectraBase Compound ID 1rmugajGb1f
InChI InChI=1S/C17H17N5O/c1-12(6-14-9-20-11-21-14)22-17(13-7-18-10-19-8-13)15-4-2-3-5-16(15)23/h2-5,7-12,23H,6H2,1H3,(H,20,21)/b22-17+/t12-/m1/s1
InChIKey QYZQTSIGEBPGRL-GOLNUVQQSA-N
Mol Weight 307.36 g/mol
Molecular Formula C17H17N5O
Exact Mass 307.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dXiMtxOunE
Name 2-{[N-1'-(1H-Imidazol-4''-yl)-2'-propylimino]-(5"'-pyrimidinyl)methyl}-phenol
Comments Less than 3 mono-isotopic peaks
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Formula C17H17N5O
InChI InChI=1S/C17H17N5O/c1-12(6-14-9-20-11-21-14)22-17(13-7-18-10-19-8-13)15-4-2-3-5-16(15)23/h2-5,7-12,23H,6H2,1H3,(H,20,21)/b22-17+/t12-/m1/s1
InChIKey QYZQTSIGEBPGRL-GOLNUVQQSA-N
Molecular Weight 307.357 g/mol
SMILES Oc1c(\C(=N\[C@@](Cc2c[nH]cn2)(C)[H])c2cncnc2)cccc1
SPLASH splash10-014i-0091000000-39a74358d8a663ed272e
Source of Spectrum D8-329-214-8
Wiley ID 1516191