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1H-Purine-2,6-dione, 3,7-dihydro-8-mercapto-1,3-dimethyl-7-nonyl-
SpectraBase Compound ID 7tzcohWZBTv
InChI InChI=1S/C16H26N4O2S/c1-4-5-6-7-8-9-10-11-20-12-13(17-15(20)23)18(2)16(22)19(3)14(12)21/h4-11H2,1-3H3,(H,17,23)
InChIKey TYWQYOHXNXTWCQ-UHFFFAOYSA-N
Mol Weight 338.47 g/mol
Molecular Formula C16H26N4O2S
Exact Mass 338.177647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FweEdTfEpvu
Name 1H-Purine-2,6-dione, 3,7-dihydro-8-mercapto-1,3-dimethyl-7-nonyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26N4O2S
InChI InChI=1S/C16H26N4O2S/c1-4-5-6-7-8-9-10-11-20-12-13(17-15(20)23)18(2)16(22)19(3)14(12)21/h4-11H2,1-3H3,(H,17,23)
InChIKey TYWQYOHXNXTWCQ-UHFFFAOYSA-N
Molecular Weight 338.470 g/mol
SMILES Sc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CCCCCCCCC
SPLASH splash10-08fr-7497000000-6155bdc05d81a1417253
Source of Spectrum AD-0-2532-0
Synonyms 1,3-Dimethyl-7-nonyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-7-nonyl-8-sulfanylidene-9H-purine-2,6-dione 1,3-Dimethyl-7-nonyl-8-thioxo-9H-purine-2,6-dione 1,3-Dimethyl-7-nonyl-8-thioxo-9H-purine-2,6-quinone
Wiley ID 1429297