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7-benzyl-3-methyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione

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7-benzyl-3-methyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CshvYMh4YLV
InChI InChI=1S/C21H21N5O2/c1-14(16-11-7-4-8-12-16)22-20-23-18-17(19(27)24-21(28)25(18)2)26(20)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey JTKSXPSGYYQWQT-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C21H21N5O2
Exact Mass 375.169525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OeR9rTPGPE
Name 7-Benzyl-3-methyl-8-[(1-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.169524934 u
Formula C21H21N5O2
InChI InChI=1S/C21H21N5O2/c1-14(16-11-7-4-8-12-16)22-20-23-18-17(19(27)24-21(28)25(18)2)26(20)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey JTKSXPSGYYQWQT-UHFFFAOYSA-N
Molecular Weight 375.432 g/mol
SMILES N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CC=1C=CC=CC1)C(C1=CC=CC=C1)C