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5-(3-Chloro-1H-indol-2-yl)-3,7-dioxo-2,3,7,8-tetrahydro-thiazolo[3,2-a]pyrimidine-6-carbonitrile
SpectraBase Compound ID DiwLTCrY2N5
InChI InChI=1S/C15H8ClN4O2S/c16-11-7-3-1-2-4-9(7)18-12(11)13-8(5-17)14(22)19-15-20(13)10(21)6-23-15/h1-4,18H,6H2,(H,19,22)
InChIKey WIMXKMJEXVFLPR-UHFFFAOYSA-N
Mol Weight 343.77 g/mol
Molecular Formula C15H8ClN4O2S
Exact Mass 343.005649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GkKtXoytU
Name 5-(3-Chloro-1H-indol-2-yl)-3,7-dioxo-2,3,7,8-tetrahydro-thiazolo[3,2-a]pyrimidine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8ClN4O2S
InChI InChI=1S/C15H8ClN4O2S/c16-11-7-3-1-2-4-9(7)18-12(11)13-8(5-17)14(22)19-15-20(13)10(21)6-23-15/h1-4,18H,6H2,(H,19,22)
InChIKey WIMXKMJEXVFLPR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800115
Molecular Weight 343.768 g/mol
SMILES [nH]1c(C2=C(C(NC3=[N]2C(CS3)=O)=O)C#N)c(c2ccccc12)Cl
SPLASH splash10-0006-3913000000-c271c488cba3ba4cea78
Source of Spectrum QA-66-SM9-5
Synonyms 5-(3-Chloro-1H-indol-2-yl)-3,7-dioxo-2,3,7,8-tetrahydro-4lambda4-thiazolo[3,2-a]pyrimidine-6-carbonitrile
Wiley ID 1814331