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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{4-hydroxy-1-methyl-2-[(3-oxo-1-butenyl)thio]-1-butenyl}formamide
SpectraBase Compound ID 4W3W5bJmsvp
InChI InChI=1S/C16H22N4O3S/c1-11(23)5-7-24-15(4-6-21)12(2)20(10-22)9-14-8-18-13(3)19-16(14)17/h5,7-8,10,21H,4,6,9H2,1-3H3,(H2,17,18,19)
InChIKey VQPODFVDQWVGEP-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C16H22N4O3S
Exact Mass 350.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKOgvnclyJx
Name N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{4-hydroxy-1-methyl-2-[(3-oxo-1-butenyl)thio]-1-butenyl}formamide
Source of Sample F. Tenconi, Lab. Ricerche-Vister, Como, Italy
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Formula C16H22N4O3S
InChI InChI=1S/C16H22N4O3S/c1-11(23)5-7-24-15(4-6-21)12(2)20(10-22)9-14-8-18-13(3)19-16(14)17/h5,7-8,10,21H,4,6,9H2,1-3H3,(H2,17,18,19)
InChIKey VQPODFVDQWVGEP-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 4648M
Solvent DMSO-d6
Synonyms FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/4-HYDROXY-1- METHYL-2-//3-OXO-1-BUTENYL/THIO/-1- BUTENYL/-,