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[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 7-[[(3,4-dimethoxyphenyl)methylene]amino]-3-methyl-8-(phenylamino)-
SpectraBase Compound ID 4aewdctDOdq
InChI InChI=1S/C20H19N7O3/c1-13-18(28)26-20(24-23-13)27(19(25-26)22-15-7-5-4-6-8-15)21-12-14-9-10-16(29-2)17(11-14)30-3/h4-12H,1-3H3,(H,22,25)/b21-12+
InChIKey FOEBGPQJWJHUDX-CIAFOILYSA-N
Mol Weight 405.42 g/mol
Molecular Formula C20H19N7O3
Exact Mass 405.154937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIlGA0Ow8nr
Name [1,2,4]Triazolo[5,1-C][1,2,4]triazin-4(8H)-one, 7-[[(3,4-dimethoxyphenyl)methylene]amino]-3-methyl-8-(phenylamino)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.154937497 u
Formula C20H19N7O3
InChI InChI=1S/C20H19N7O3/c1-13-18(28)26-20(24-23-13)27(19(25-26)22-15-7-5-4-6-8-15)21-12-14-9-10-16(29-2)17(11-14)30-3/h4-12H,1-3H3,(H,22,25)/b21-12+
InChIKey FOEBGPQJWJHUDX-CIAFOILYSA-N
Molecular Weight 405.418 g/mol
SMILES C=12N(N=C(N2\N=C\C=2C=C(OC)C(=CC2)OC)NC=2C=CC=CC2)C(C(=NN1)C)=O