Debug Info

object
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_id
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Rd7kfGceGv
spectrumID
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Rd7kfGceGv
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131072
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-bromophenyl)-1,3-dimethyl-6-(3-pyridinylmethyl)-
SpectraBase Compound ID 3jRjwMBFHAR
InChI InChI=1S/C20H17BrN4O2/c1-23-16-12-25(11-13-4-3-9-22-10-13)18(14-5-7-15(21)8-6-14)17(16)19(26)24(2)20(23)27/h3-10,12H,11H2,1-2H3
InChIKey NFKLCXVHYFKVJE-UHFFFAOYSA-N
Mol Weight 425.29 g/mol
Molecular Formula C20H17BrN4O2
Exact Mass 424.053489 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rd7kfGceGv
Name 1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-bromophenyl)-1,3-dimethyl-6-(3-pyridinylmethyl)-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN4O2
InChI InChI=1S/C20H17BrN4O2/c1-23-16-12-25(11-13-4-3-9-22-10-13)18(14-5-7-15(21)8-6-14)17(16)19(26)24(2)20(23)27/h3-10,12H,11H2,1-2H3
InChIKey NFKLCXVHYFKVJE-UHFFFAOYSA-N
Molecular Weight 425.286 g/mol
SMILES c1ccncc1C[n]1cc2c(c1-c1ccc(cc1)Br)C(N(C)C(=O)N2C)=O
SPLASH splash10-056u-9482200000-ac5bb833e05bf4feadea
Source of Spectrum IY-2-4975-3
Synonyms 5-(4-bromophenyl)-1,3-dimethyl-6-(pyridin-3-ylmethyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione 5-(4-bromophenyl)-1,3-dimethyl-6-(3-pyridinylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione 5-(4-bromophenyl)-1,3-dimethyl-6-(3-pyridylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione 5-(4-bromophenyl)-1,3-dimethyl-6-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
Wiley ID 1657736
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