NSC3111
Creator
US National Cancer Institute
Publication Date
2004-12-12Alternative Title
Theobromine, 1-butyl- (8CI)
WLN: T56 BN DN FNVNVJ B1 F1 H4
1-n-Butyl-3,7-dimethylxanthine
1-Butyltheobromine
1H-Purine-2, 6-dione, 1-butyl-3,7-dihydro-3,7-dimethyl- (9CI)
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC3111
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/4558
IUPAC Chemical Identifier (IChI): C11H16N4O2,1H3-5H2-6H2-7H2-15-10(16)8-9(12-4H-13(8)2H3)14(3H3)11(15)17
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
IUPAC/NIST Chemical Identifier Key (INChI): ZCUPBJOZMPROIJ-UHFFFAOYSA-N