CHEBI:116872 - 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
ChEBI ID CHEBI:116872
Stars This entity has been manually annotated by a third party.
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Formula C20H24N4O2S
Net Charge 0
Average Mass 384.497
Monoisotopic Mass 384.16200
InChI InChI=1S/C20H24N4O2S/c1-3-13-8-6-7-11-24(13)16(25)12-27-20-22-17-14-9-4-5-10-15(14)21-18(17)19(26)23(20)2/h4-5,9-10,13,21H,3,6-8,11-12H2,1-2H3
InChIKey OYRRJMUFLQVYOB-UHFFFAOYSA-N
SMILES CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43
ChEBI Ontology
Outgoing 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CHEBI:116872) is a pyrimido-indole (CHEBI:146266)
2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CHEBI:116872) is a pyrrolopyrimidine (CHEBI:38670)
Manual Xref Database
LSM-28323 LINCS
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Last Modified
06 March 2020