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7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2qC3uLqn7RI
InChI InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24(11-12-7-3-4-8-13(12)19)17(20-15)23-9-5-6-10-23/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKey QKGCBEPKXQPKTN-UHFFFAOYSA-N
Mol Weight 373.84 g/mol
Molecular Formula C18H20ClN5O2
Exact Mass 373.130553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFHKlc3sCWd
Name 7-(2-Chlorobenzyl)-1,3-dimethyl-8-(1-pyrrolidinyl)-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 373.130552602 u
Formula C18H20ClN5O2
InChI InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24(11-12-7-3-4-8-13(12)19)17(20-15)23-9-5-6-10-23/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKey QKGCBEPKXQPKTN-UHFFFAOYSA-N
Molecular Weight 373.844 g/mol
SMILES C12=C(N(CC3=C(C=CC=C3)Cl)C(=N1)N1CCCC1)C(=O)N(C(N2C)=O)C