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1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-(4-methoxyphenyl)-1-(phenylmethyl)-
SpectraBase Compound ID GwrmIOoDV9
InChI InChI=1S/C19H17N5O/c1-25-16-9-7-15(8-10-16)23-18-17-11-22-24(19(17)21-13-20-18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKey MMRNSEFJHIVRBF-UHFFFAOYSA-N
Mol Weight 331.38 g/mol
Molecular Formula C19H17N5O
Exact Mass 331.14331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rGJDGpIDnl
Name 1H-Pyrazolo[3,4-D]pyrimidin-4-amine, N-(4-methoxyphenyl)-1-(phenylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 331.143310186 u
Formula C19H17N5O
InChI InChI=1S/C19H17N5O/c1-25-16-9-7-15(8-10-16)23-18-17-11-22-24(19(17)21-13-20-18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKey MMRNSEFJHIVRBF-UHFFFAOYSA-N
Molecular Weight 331.379 g/mol
SMILES N(C=1C2=C(N(CC3=CC=CC=C3)N=C2)N=CN1)C=1C=CC(=CC1)OC