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CHEBI:46335 - N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE

Default Structure
ChEBI IDCHEBI:46335
ChEBI NameN-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC27H28FN7O4S
Net Charge0
Average Mass565.631
Monoisotopic Mass565.19075
SMILES[H]c1c([H])c([H])c(C([H])([H])n2c(=O)c3c(nc(C([H])([H])c4c([H])c([H])c(N([H])S(=O)(=O)c5nc([H])n(C([H])([H])[H])c5[H])c([H])c4[H])n3[H])n(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c2=O)c(F)c1[H]
InChIInChI=1S/C27H28FN7O4S/c1-3-4-13-34-25-24(26(36)35(27(34)37)15-19-7-5-6-8-21(19)28)30-22(31-25)14-18-9-11-20(12-10-18)32-40(38,39)23-16-33(2)17-29-23/h5-12,16-17,32H,3-4,13-15H2,1-2H3,(H,30,31)
InChIKeyOWJCXBGUTOMZTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE (CHEBI:46335) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamidePDBeChem
N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDEPDBeChem
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