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o-{N-[6,7-dihydro-7-ethyl-4-(ethylamino)-6-imino-1H-pyrazolo[3,4-b]pyridin-3-yl]formimidoyl}phenol
SpectraBase Compound ID KhnRKOaluPM
InChI InChI=1S/C17H20N6O/c1-3-19-12-9-14(18)23(4-2)17-15(12)16(21-22-17)20-10-11-7-5-6-8-13(11)24/h5-10,18-19,24H,3-4H2,1-2H3,(H,21,22)/b18-14?,20-10+
InChIKey GSQJPBJKFWHHBV-PPWBALMTSA-N
Mol Weight 324.39 g/mol
Molecular Formula C17H20N6O
Exact Mass 324.169859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44qr2reReyI
Name o-{N-[6,7-Dihydro-7-ethyl-4-(ethylamino)-6-imino-1H-pyrazolo[3,4-B]pyridin-3-yl]formimidoyl}phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.169859287 u
Formula C17H20N6O
InChI InChI=1S/C17H20N6O/c1-3-19-12-9-14(18)23(4-2)17-15(12)16(21-22-17)20-10-11-7-5-6-8-13(11)24/h5-10,18-19,24H,3-4H2,1-2H3,(H,21,22)/b18-14?,20-10+
InChIKey GSQJPBJKFWHHBV-PPWBALMTSA-N
Molecular Weight 324.388 g/mol
SMILES N1N=C(C2=C1N(C(C=C2NCC)=N)CC)\N=C\C1=CC=CC=C1O