CHEBI:194445 - 63442

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 63442
ChEBI ID CHEBI:194445
Stars This entity has been manually annotated by a third party.
Submitter Balaji
Supplier Information
Download Molfile XML SDF
Formula C23H20N6O4
Net Charge 0
Average Mass 444.451
Monoisotopic Mass 444.15460
InChI InChI=1S/C23H20N6O4/c1-27-18-17(19(30)28(2)22(27)33)29(13-24-18)12-14-8-6-7-11-16(14)23(15-9-4-3-5-10-15)20(31)25-21(32)26-23/h3-11,13H,12H2,1-2H3,(H2,25,26,31,32)
InChIKey WYJJSYUIGHGENL-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3CN4C=NC5=C4C(=O)N(C(=O)N5C)C
ChEBI Ontology
Outgoing 63442 (CHEBI:194445) is a benzenes (CHEBI:22712)
Brand Name Source
BM_C1_2023 SUBMITTER
Citations Waiting for Citations Types Sources
26677204 PubMed citation SUBMITTER
6990703 PubMed citation SUBMITTER
Last Modified
03 May 2023