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1-{2-[2-(1,3-Dimethyl-2,3-dihydro-1H-indolyl)acetyl}allyl-3,9-dimethyl-2,3,6,9-tetrahydro-1H-2,6-purinedione
SpectraBase Compound ID 6kdxzFq1zCp
InChI InChI=1S/C22H23N5O4/c1-13(11-27-19(29)17-18(24(3)12-23-17)26(5)21(27)31)16(28)10-22(2)14-8-6-7-9-15(14)25(4)20(22)30/h6-9,12H,1,10-11H2,2-5H3
InChIKey QRCVLQFZCJKKAP-UHFFFAOYSA-N
Mol Weight 421.46 g/mol
Molecular Formula C22H23N5O4
Exact Mass 421.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsNR1EXApyd
Name 1-{2-[2-(1,3-Dimethyl-2,3-dihydro-1H-indolyl)acetyl}allyl-3,9-dimethyl-2,3,6,9-tetrahydro-1H-2,6-purinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N5O4
InChI InChI=1S/C22H23N5O4/c1-13(11-27-19(29)17-18(24(3)12-23-17)26(5)21(27)31)16(28)10-22(2)14-8-6-7-9-15(14)25(4)20(22)30/h6-9,12H,1,10-11H2,2-5H3
InChIKey QRCVLQFZCJKKAP-UHFFFAOYSA-N
Molecular Weight 421.457 g/mol
SMILES C1(N(C(c2c(N1C)[n](cn2)C)=O)CC(C(CC1(C(N(C)c2c1cccc2)=O)C)=O)=C)=O
SPLASH splash10-01b9-0090500000-1ebea65872dbfed4a905
Source of Spectrum KC-57-1366-4
Synonyms 1-[4-(1,3-dimethyl-2-oxo-3-indolyl)-2-methylene-3-oxobutyl]-3,9-dimethylpurine-2,6-dione 1-[4-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylidene-3-oxobutyl]-3,9-dimethylpurine-2,6-dione 1-[4-(1,3-dimethyl-2-oxo-indolin-3-yl)-2-methylene-3-oxo-butyl]-3,9-dimethyl-purine-2,6-dione 1-[4-(1,3-dimethyl-2-oxidanylidene-indol-3-yl)-2-methylidene-3-oxidanylidene-butyl]-3,9-dimethyl-purine-2,6-dione
Wiley ID 1622902