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CHEBI:46158 - N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE

Default Structure
ChEBI IDCHEBI:46158
ChEBI NameN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC21H25N5O3
Net Charge0
Average Mass395.463
Monoisotopic Mass395.19574
SMILES[H]C([H])=C([H])C([H])([H])n1c(=O)c2c(nc(C([H])([H])c3c([H])c([H])c(N([H])C(=O)C([H])([H])[H])c([H])c3[H])n2[H])n(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c1=O
InChIInChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)
InChIKeyXFOWZKUTPKXWIE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE (CHEBI:46158) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDEPDBeChem
N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamidePDBeChem
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