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Azathioprine
SpectraBase Compound ID KsFsrG3Jo80
InChI InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChIKey LMEKQMALGUDUQG-UHFFFAOYSA-N
Mol Weight 277.26 g/mol
Molecular Formula C9H7N7O2S
Exact Mass 277.038194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BclGntYCChu
Name 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine
CAS Registry Number 446-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N7O2S
InChI InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChIKey LMEKQMALGUDUQG-UHFFFAOYSA-N
Molecular Weight 277.262 g/mol
SMILES N1C=NC=2C(=C1Sc1c(N(=O)=O)nc[n]1C)N=CN2
SPLASH splash10-00lu-9560000000-2632775a6b3e6f0e3831
Source of Spectrum NP-18-5765-0
Synonyms 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine 6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine 6-(1'-Methyl-4'-nitro-5'-imidazolyl)mercaptopurine 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin 6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine 6-(Methyl-p-nitro-5-imidazolyl)-thiopurine 9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- Azamun Azamune Azanin Azathioprin Azathioprine Azatioprin Azoran Azothioprin Azothioprine Ccucol Imuran Imurek Imurel Muran Purine, 6-((1-methyl-4-nitroimidazol-5-yl)thio)- Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)- Rorasul 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-7H-purine 6-(3-Methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine 6-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine B. W. 57-322 BW 57-322 NCI-C03474 NSC 39084
Wiley ID 1107553