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6H-Purine-6-thione, 1,9-dihydro-9-methyl-
SpectraBase Compound ID C0ErAmN4okh
InChI InChI=1S/C6H6N4S/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
InChIKey HDAZBCXPLJHIIY-UHFFFAOYSA-N
Mol Weight 166.2 g/mol
Molecular Formula C6H6N4S
Exact Mass 166.031317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HazwjRnIYp
Name 6H-Purine-6-thione, 1,9-dihydro-9-methyl-
CAS Registry Number 1006-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4S
InChI InChI=1S/C6H6N4S/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
InChIKey HDAZBCXPLJHIIY-UHFFFAOYSA-N
Molecular Weight 166.202 g/mol
SMILES Sc1c2c([n](C)cn2)ncn1
SPLASH splash10-014l-8900000000-1d1eeb317c0ea4b9bad0
Source of Spectrum O3-0-1219-0
Synonyms 9-Methyl-1,9-dihydro-6H-purine-6-thione 6-Mercapto-9-methylpurine 9-Methyl-3H-purine-6-thione 9-Methyl-6-mercaptopurine 9-Methyl-6-thiopurine 9H-Purine-6(1H)-thione, 9-methyl-, NSC 7841
Wiley ID 1161875