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7a-Methyl-4-nitro-2-thioxo-(perhydro)pyrimido[3,4-b]benzimidazole
SpectraBase Compound ID IgrpzSoKMfA
InChI InChI=1S/C11H12N4O2S/c1-11-4-5-12-10(18)14(11)9-6-7(15(16)17)2-3-8(9)13-11/h2-3,6,13H,4-5H2,1H3,(H,12,18)
InChIKey RLYJCLQUDNXURI-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C11H12N4O2S
Exact Mass 264.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLebXMxaRNn
Name 7a-Methyl-4-nitro-2-thioxo-(perhydro)pyrimido[3,4-b]benzimidazole
Alternate Name(s) 4a-methyl-8-nitro-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-1-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4O2S
InChI InChI=1S/C11H12N4O2S/c1-11-4-5-12-10(18)14(11)9-6-7(15(16)17)2-3-8(9)13-11/h2-3,6,13H,4-5H2,1H3,(H,12,18)
InChIKey RLYJCLQUDNXURI-UHFFFAOYSA-N
Molecular Weight 264.303 g/mol
SMILES N1c2ccc(cc2N2C(NCCC12C)=S)N(=O)=O
SPLASH splash10-0002-0190000000-322a898666e79ba687cc
Source of Spectrum B-54-463-2
Wiley ID 811018