The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB07954 http://purl.obolibrary.org/obo/dinto_DB07954
Preferred Name	3-isobutyl-1-methylxanthine
Synonyms	1-methyl-3-(2-methylpropyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione C10H14N4O2
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	3-isobutyl-1-methylxanthine
label	3-isobutyl-1-methylxanthine
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=APIXJSLKIYYUKG-UHFFFAOYSA-N
Synonym	1-methyl-3-(2-methylpropyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione C10H14N4O2
xref	PDB:IBM ChemSpider:3627 PubChem Substance:99444425 PubChem Compound:3758 Guide To Pharmacology:388 ChEBI:48518 IUPHAR:388 See more See less
prefixIRI	obo2:dinto_DB07954
related with	http://purl.obolibrary.org/obo/dinto_0048 http://purl.obolibrary.org/obo/dinto_1637 http://purl.obolibrary.org/obo/dinto_3498 http://purl.obolibrary.org/obo/dinto_1439 http://purl.obolibrary.org/obo/dinto_3125 http://purl.obolibrary.org/obo/dinto_0689 http://purl.obolibrary.org/obo/dinto_3134 http://purl.obolibrary.org/obo/dinto_0460 See more See less
SMILES	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O
InChI	InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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