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2,4-Diamino-9-(3',4',5'-trimethoxybenzyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID HSi89JzlUuY
InChI InChI=1S/C20H27N5O4/c1-26-13-7-11(8-14(27-2)16(13)28-3)10-29-20-6-4-5-12(9-20)15-17(21)23-19(22)24-18(15)25-20/h7-8,12H,4-6,9-10H2,1-3H3,(H5,21,22,23,24,25)
InChIKey XAOMCQZESGZXTB-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C20H27N5O4
Exact Mass 401.206304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Br2x4GaGreF
Name 2,4-Diamino-9-(3',4',5'-trimethoxybenzyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Alternate Name(s) 2,4-Diamino-9-(3',4',5'-trimethyloxybenzyloxy)-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine 3-Amino-9-[(3,4,5-trimethoxybenzyl)oxy]-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-5-ylamine 9-[(3,4,5-trimethoxybenzyl)oxy]-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-3,5-diamine
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Formula C20H27N5O4
InChI InChI=1S/C20H27N5O4/c1-26-13-7-11(8-14(27-2)16(13)28-3)10-29-20-6-4-5-12(9-20)15-17(21)23-19(22)24-18(15)25-20/h7-8,12H,4-6,9-10H2,1-3H3,(H5,21,22,23,24,25)
InChIKey XAOMCQZESGZXTB-UHFFFAOYSA-N
Molecular Weight 401.467 g/mol
SMILES Nc1nc2c(c(n1)N)C1CCCC(N2)(C1)OCc1cc(OC)c(c(c1)OC)OC
SPLASH splash10-0udi-0290300000-ead0fe9e47aac068ca21
Source of Spectrum J-64-446-23
Wiley ID 1529245