CHEBI:114191 - 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
ChEBI ID CHEBI:114191
Stars This entity has been manually annotated by a third party.
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Formula C23H25N5O3
Net Charge 0
Average Mass 419.477
Monoisotopic Mass 419.19574
InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
InChIKey AQASGOHUMGAWJJ-UHFFFAOYSA-N
SMILES COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O
ChEBI Ontology
Outgoing 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CHEBI:114191) is a piperazines (CHEBI:26144)
3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CHEBI:114191) is a pyrimido-indole (CHEBI:146266)
Manual Xref Database
LSM-25640 LINCS
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Last Modified
06 March 2020