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5-((2-[(Diethylamino)methyl]-1,3-benzodioxol-5-yl)methyl)-2,4-pyrimidinediamine
SpectraBase Compound ID KSsNePBbWIc
InChI InChI=1S/C17H23N5O2/c1-3-22(4-2)10-15-23-13-6-5-11(8-14(13)24-15)7-12-9-20-17(19)21-16(12)18/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H4,18,19,20,21)
InChIKey FOLMLIUUSUSQLL-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C17H23N5O2
Exact Mass 329.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InKkIndQUdF
Name 5-((2-[(Diethylamino)methyl]-1,3-benzodioxol-5-yl)methyl)-2,4-pyrimidinediamine
CAS Registry Number 71525-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N5O2
InChI InChI=1S/C17H23N5O2/c1-3-22(4-2)10-15-23-13-6-5-11(8-14(13)24-15)7-12-9-20-17(19)21-16(12)18/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H4,18,19,20,21)
InChIKey FOLMLIUUSUSQLL-UHFFFAOYSA-N
Molecular Weight 329.404 g/mol
SMILES Nc1ncc(c(n1)N)Cc1ccc2c(c1)OC(O2)CN(CC)CC
SPLASH splash10-000i-9000000000-ed24a9bd4b26fc9ff101
Source of Spectrum NP-11-6919-0
Synonyms 1,3(2H)-Benzodioxole, 2-[(diethylamino)methyl]-5-[(2,4-diamino-5-pyrimidinyl)methyl]- 5-[[2-(diethylaminomethyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine
Wiley ID 1109796