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N-(1,1-DIMETHYLETHYL)-N'-2-PYRIMIDINYL-CARBAMIMIDOTHIOIC-ACID-METHYLESTER
SpectraBase Compound ID BqE2P2jzrzO
InChI InChI=1S/C10H16N4S/c1-10(2,3)14-9(15-4)13-8-11-6-5-7-12-8/h5-7H,1-4H3,(H,11,12,13,14)
InChIKey LLLVCMITZPZMKD-UHFFFAOYSA-N
Mol Weight 224.33 g/mol
Molecular Formula C10H16N4S
Exact Mass 224.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3E3LK0Uqhb
Name 3-tert-Butyl-2-methyl-1-(2-pyrimidyl)isothiourea
Alternate Name(s) 3-tert-Butyl-2-methyl-1-pyrimidin-2-yl-isothiourea Methyl N'-tert-butyl-N-pyrimidin-2-yl-carbamimidothioate N'-tert-butyl-N-(2-pyrimidinyl)carbamimidothioic acid methyl ester
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Formula C10H16N4S
InChI InChI=1S/C10H16N4S/c1-10(2,3)14-9(15-4)13-8-11-6-5-7-12-8/h5-7H,1-4H3,(H,11,12,13,14)
InChIKey LLLVCMITZPZMKD-UHFFFAOYSA-N
Molecular Weight 224.326 g/mol
SMILES N(\C(=N\C(C)(C)C)SC)c1ncccn1
SPLASH splash10-006x-9710000000-5d876264f0ad45e3ddf7
Source of Spectrum Y-32-14-6
Wiley ID 1224643