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CHEBI:46581 - 2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile

ChEBI IDCHEBI:46581
ChEBI Name2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Stars
ASCII Name2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H23N7O2
Net Charge0
Average Mass393.451
Monoisotopic Mass393.19132
SMILES[H]c1c([H])c([H])c(C([H])([H])n2c(N3C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C3([H])[H])nc3c2c(=O)n(C([H])([H])[H])c(=O)n3C([H])([H])[H])c(C#N)c1[H]
InChIInChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3/t15-/m1/s1
InChIKeyXJNKUWDMCBZMTG-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile (CHEBI:46581) has functional parent benzonitrile (CHEBI:27991)
2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile (CHEBI:46581) is a aminopiperidine (CHEBI:48588)
2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile (CHEBI:46581) is a oxopurine (CHEBI:25810)
Synonyms  Source
2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILEPDBeChem
2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrilePDBeChem
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