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7-Benzyl-8-biphenyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-Benzyl-8-biphenyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CwZyfg4DIxe
InChI InChI=1S/C26H22N4O2/c1-28-24-22(25(31)29(2)26(28)32)30(17-18-9-5-3-6-10-18)23(27-24)21-15-13-20(14-16-21)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3
InChIKey NTHRTPSIOPRGMM-UHFFFAOYSA-N
Mol Weight 422.49 g/mol
Molecular Formula C26H22N4O2
Exact Mass 422.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H44PIifYQGR
Name 7-Benzyl-8-biphenyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.174275962 u
Formula C26H22N4O2
InChI InChI=1S/C26H22N4O2/c1-28-24-22(25(31)29(2)26(28)32)30(17-18-9-5-3-6-10-18)23(27-24)21-15-13-20(14-16-21)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3
InChIKey NTHRTPSIOPRGMM-UHFFFAOYSA-N
Molecular Weight 422.488 g/mol
SMILES C12=C(N(C)C(N(C2=O)C)=O)N=C(N1CC1=CC=CC=C1)C=1C=CC(=CC1)C1=CC=CC=C1