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3-[(4-Amino-6-s-butylpyrimidin-2-yl)amino]propenal
SpectraBase Compound ID KcvCNc20DvQ
InChI InChI=1S/C11H16N4O/c1-3-8(2)9-7-10(12)15-11(14-9)13-5-4-6-16/h4-8H,3H2,1-2H3,(H3,12,13,14,15)/b5-4+
InChIKey DZINCOMHZQISQA-SNAWJCMRSA-N
Mol Weight 220.28 g/mol
Molecular Formula C11H16N4O
Exact Mass 220.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34LKjXhwV7d
Name 3-[(4-Amino-6-s-butylpyrimidin-2-yl)amino]propenal
CAS Registry Number 122081-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N4O
InChI InChI=1S/C11H16N4O/c1-3-8(2)9-7-10(12)15-11(14-9)13-5-4-6-16/h4-8H,3H2,1-2H3,(H3,12,13,14,15)/b5-4+
InChIKey DZINCOMHZQISQA-SNAWJCMRSA-N
Molecular Weight 220.276 g/mol
SMILES Nc1nc(nc(c1)C(CC)C)N\C=C\C=O
SPLASH splash10-006x-0910000000-bb4d2d8200b441051ecd
Source of Spectrum KC-1989-612-6
Synonyms (2E)-3-[(4-amino-6-sec-butyl-2-pyrimidinyl)amino]-2-propenal
Wiley ID 1219591