EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:109092 - 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol

ChEBI IDCHEBI:109092
ChEBI Name2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol
Stars
Last Modified6 March 2019
DownloadsMolfile
FormulaC16H16N4O3S
Net Charge0
Average Mass344.396
Monoisotopic Mass344.09431
SMILESCc1sc2ncnc(NCC(O)c3ccc([N+](=O)[O-])cc3)c2c1C
InChIInChI=1S/C16H16N4O3S/c1-9-10(2)24-16-14(9)15(18-8-19-16)17-7-13(21)11-3-5-12(6-4-11)20(22)23/h3-6,8,13,21H,7H2,1-2H3,(H,17,18,19)
InChIKeyAXWSXUZKVHSKRB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol (CHEBI:109092) is a organic heterobicyclic compound (CHEBI:27171)
2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol (CHEBI:109092) is a organonitrogen heterocyclic compound (CHEBI:38101)
2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol (CHEBI:109092) is a organosulfur heterocyclic compound (CHEBI:38106)
2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol (CHEBI:109092) is a thienopyrimidine (CHEBI:143212)
Manual XrefsDatabases
LSM-20490LINCS