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CHEBI:47076 - N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE

ChEBI IDCHEBI:47076
ChEBI NameN-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC28H30ClN5O2
Net Charge0
Average Mass504.034
Monoisotopic Mass503.20880
SMILES[H]c1c([H])c([H])c(C([H])([H])n2c([C@]([H])(N(C(=O)c3c([H])c([H])c(C([H])([H])[H])c([H])c3[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C3([H])C([H])([H])C3([H])[H])nn3c([H])c([H])c(Cl)c3c2=O)c([H])c1[H]
InChIInChI=1S/C28H30ClN5O2/c1-19-8-10-22(11-9-19)27(35)32(16-5-15-30)24(21-12-13-21)26-31-34-17-14-23(29)25(34)28(36)33(26)18-20-6-3-2-4-7-20/h2-4,6-11,14,17,21,24H,5,12-13,15-16,18,30H2,1H3/t24-/m1/s1
InChIKeyIKORZPHBTIOSSU-XMMPIXPASA-N
ChEBI Ontology
Outgoing Relation(s)
N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE (CHEBI:47076) is a pyrrolotriazine (CHEBI:88341)
Synonyms  Source
N-(3-aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamidePDBeChem
N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDEPDBeChem
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