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6H-Purin-6-one, 1-butyl-7-(4-chlorophenyl)-1,7-dihydro-2-methyl-
SpectraBase Compound ID CG3WAQgBicp
InChI InChI=1S/C16H17ClN4O/c1-3-4-9-20-11(2)19-15-14(16(20)22)21(10-18-15)13-7-5-12(17)6-8-13/h5-8,10H,3-4,9H2,1-2H3
InChIKey BFLGNPWXCNIAGQ-UHFFFAOYSA-N
Mol Weight 316.79 g/mol
Molecular Formula C16H17ClN4O
Exact Mass 316.109089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgjMfHFxofL
Name 6H-Purin-6-one, 1-butyl-7-(4-chlorophenyl)-1,7-dihydro-2-methyl-
CAS Registry Number 83325-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN4O
InChI InChI=1S/C16H17ClN4O/c1-3-4-9-20-11(2)19-15-14(16(20)22)21(10-18-15)13-7-5-12(17)6-8-13/h5-8,10H,3-4,9H2,1-2H3
InChIKey BFLGNPWXCNIAGQ-UHFFFAOYSA-N
Molecular Weight 316.792 g/mol
SMILES c12c(N=C(N(C2=O)CCCC)C)nc[n]1-c1ccc(cc1)Cl
SPLASH splash10-03di-0195000000-c1e48e3ba64e91121111
Source of Spectrum F-38-1438-0
Synonyms 1,7-Dihydro-1-butyl-7-(4-chlorophenyl)-2-methyl-6H-purin-6-one 1-Butyl-7-(4-chlorophenyl)-2-methyl-1,7-dihydro-6H-purin-6-one
Wiley ID 1316596