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7-(4-chlorobenzyl)-8-(cyclopentylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-(4-chlorobenzyl)-8-(cyclopentylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Ce61OaX5rLf
InChI InChI=1S/C19H22ClN5O2/c1-23-16-15(17(26)24(2)19(23)27)25(11-12-7-9-13(20)10-8-12)18(22-16)21-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,21,22)
InChIKey GYRGCNVBZQXNCB-UHFFFAOYSA-N
Mol Weight 387.87 g/mol
Molecular Formula C19H22ClN5O2
Exact Mass 387.146203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RGDgb73t2F
Name 7-(4-Chlorobenzyl)-8-(cyclopentylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 387.146202666 u
Formula C19H22ClN5O2
InChI InChI=1S/C19H22ClN5O2/c1-23-16-15(17(26)24(2)19(23)27)25(11-12-7-9-13(20)10-8-12)18(22-16)21-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,21,22)
InChIKey GYRGCNVBZQXNCB-UHFFFAOYSA-N
Molecular Weight 387.871 g/mol
SMILES N(C1=NC2=C(N1CC=1C=CC(=CC1)Cl)C(=O)N(C(N2C)=O)C)C1CCCC1