CHEBI:83962 - NVP-BHS345

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ChEBI Name NVP-BHS345
ChEBI ID CHEBI:83962
Definition A member of the class of imidazoquinolines that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a pyrimidin-5-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H20N6O
Net Charge 0
Average Mass 420.46590
Monoisotopic Mass 420.16986
InChI InChI=1S/C25H20N6O/c1-25(2,14-26)18-5-7-19(8-6-18)31-23-20-10-16(17-11-27-15-28-12-17)4-9-21(20)29-13-22(23)30(3)24(31)32/h4-13,15H,1-3H3
InChIKey WFCPNAZSGVZANE-UHFFFAOYSA-N
SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cncnc1
ChEBI Ontology
Outgoing NVP-BHS345 (CHEBI:83962) is a imidazoquinoline (CHEBI:38776)
NVP-BHS345 (CHEBI:83962) is a nitrile (CHEBI:18379)
NVP-BHS345 (CHEBI:83962) is a pyrimidines (CHEBI:39447)
NVP-BHS345 (CHEBI:83962) is a ureas (CHEBI:47857)
IUPAC Name
2-methyl-2-{4-[3-methyl-2-oxo-8-(pyrimidin-5-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile
Last Modified
06 July 2016