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5,6-bis(4-methoxyphenyl)-7-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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5,6-bis(4-methoxyphenyl)-7-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SpectraBase Compound ID 3jqro89bNnn
InChI InChI=1S/C28H26N4O2/c1-33-22-12-8-20(9-13-22)24-25-27(29)30-18-31-28(25)32(17-16-19-6-4-3-5-7-19)26(24)21-10-14-23(34-2)15-11-21/h3-15,18H,16-17H2,1-2H3,(H2,29,30,31)
InChIKey HWFJAUHLMJIGNW-UHFFFAOYSA-N
Mol Weight 450.54 g/mol
Molecular Formula C28H26N4O2
Exact Mass 450.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYfFQOMbGdS
Name 5,6-bis(4-Methoxyphenyl)-7-(2-phenylethyl)-7H-pyrrolo[2,3-D]pyrimidin-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.205576091 u
Formula C28H26N4O2
InChI InChI=1S/C28H26N4O2/c1-33-22-12-8-20(9-13-22)24-25-27(29)30-18-31-28(25)32(17-16-19-6-4-3-5-7-19)26(24)21-10-14-23(34-2)15-11-21/h3-15,18H,16-17H2,1-2H3,(H2,29,30,31)
InChIKey HWFJAUHLMJIGNW-UHFFFAOYSA-N
Molecular Weight 450.542 g/mol
SMILES C1=CC=C(CCN2C3=C(C(N)=NC=N3)C(=C2C2=CC=C(C=C2)OC)C=2C=CC(=CC2)OC)C=C1