NSC3112
Creator
US National Cancer Institute
Publication Date
2004-12-12Alternative Title
Theobromine, 1-isopentyl- (8CI)
WLN: T56 BN DN FNVNVJ B1 F1 HY2& 2
1-Isoamyl-3,7-dimethylxanthine
1-Isoamyltheobromine
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(3-methylbutyl)- (9CI)
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
Show full item recordIdentifiers
NSC3112
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/4559
IUPAC Chemical Identifier (IChI): C12H18N4O2,1H3-12H(2H3)6H2-7H2-16-10(17)8-9(13-5H-14(8)3H3)15(4H3)11(16)18
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C12H18N4O2/c1-8(2)5-6-16-11(17)9-10(13-7-14(9)3)15(4)12(16)18/h7-8H,5-6H2,1-4H3
IUPAC/NIST Chemical Identifier Key (INChI): VLJKEQVJDMCCRE-UHFFFAOYSA-N