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3,7-Diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine

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3,7-Diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine
SpectraBase Compound ID EW4j7g59MOa
InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C21H28N6O4
Exact Mass 428.217203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7BW13ibX0G
Name 3,7-Diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.217203402 u
Formula C21H28N6O4
InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N
Molecular Weight 428.493 g/mol
SMILES C12=C(C(N(C(N2CCC)=O)CCC)=O)N=C(N1)C1=CC=C(OCC(NCCN)=O)C=C1