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CHEBI:144673 - PA-16-0081C

ChEBI IDCHEBI:144673
ChEBI NamePA-16-0081C
Stars
DefinitionAn organic heterotricyclic compound that is N,1,4,4-tetramethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide substituted by a [2-methyl-4-(4-methylpiperazin-1-yl)phenyl]nitrilo group at position 8.
Last Modified30 August 2019
Submitteralison.axtman
DownloadsMolfile
FormulaC26H34N8O
Net Charge0
Average Mass474.613
Monoisotopic Mass474.28556
SMILESCNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3C)nc1-2
InChIInChI=1S/C26H34N8O/c1-16-13-18(34-11-9-32(5)10-12-34)7-8-19(16)29-25-28-15-17-14-26(2,3)20-22(24(35)27-4)31-33(6)23(20)21(17)30-25/h7-8,13,15H,9-12,14H2,1-6H3,(H,27,35)(H,28,29,30)
InChIKeySHDNXWHTEHEILL-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)
PA-16-0081C (CHEBI:144673) is a N-methylpiperazine (CHEBI:46920)
PA-16-0081C (CHEBI:144673) is a aminotoluene (CHEBI:22531)
PA-16-0081C (CHEBI:144673) is a organic heterotricyclic compound (CHEBI:26979)
PA-16-0081C (CHEBI:144673) is a secondary amino compound (CHEBI:50995)
PA-16-0081C (CHEBI:144673) is a secondary carboxamide (CHEBI:140325)
PA-16-0081C (CHEBI:144673) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N,1,4,4-tetramethyl-8-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide