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CHEBI:93647 - 1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

ChEBI IDCHEBI:93647
ChEBI Name1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea
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FormulaC19H29BrN6S
Net Charge0
Average Mass453.454
Monoisotopic Mass452.13578
SMILESCCCCN(CCCNC(=S)NCCCc1cncn1)c1ccc(Br)cn1
InChIInChI=1S/C19H29BrN6S/c1-2-3-11-26(18-8-7-16(20)13-24-18)12-5-10-23-19(27)22-9-4-6-17-14-21-15-25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyHQWAEGQRZDJNPK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea (CHEBI:93647) is a dialkylarylamine (CHEBI:23665)
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea (CHEBI:93647) is a tertiary amino compound (CHEBI:50996)
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