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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
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Accession:CHEBI:145528 term browser browse the term
Definition:A thienopyrimidine that is 5,6-dimethylthieno[2,3-d]pyrimidin-4-amine in which the amino group at position 4 has been substituted by an N-(1-benzylpyrrolidin-3-yl) group.
Synonyms:related_synonym: Formula=C19H22N4S;   InChI=1S/C19H22N4S/c1-13-14(2)24-19-17(13)18(20-12-21-19)22-16-8-9-23(11-16)10-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,20,21,22);   InChIKey=VSXRMURGJRAOCU-UHFFFAOYSA-N;   SMILES=C=12C(=C(N=CN1)NC3CN(CC3)CC=4C=CC=CC4)C(=C(S2)C)C
 xref: CAS:929978-58-5


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      application 21760
        NMR chemical shift reference compound 18740
          ammonia 18446
            organic amino compound 18446
              secondary amino compound 6892
                N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine 0
                  (R)-Fasnall + 0
                  (S)-Fasnall + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    main group molecular entity 22120
                      s-block molecular entity 21717
                        hydrogen molecular entity 21634
                          hydrides 20777
                            inorganic hydride 18692
                              pnictogen hydride 18672
                                nitrogen hydride 18540
                                  azane 18447
                                    ammonia 18446
                                      organic amino compound 18446
                                        tertiary amino compound 10307
                                          N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine 0
                                            (R)-Fasnall + 0
                                            (S)-Fasnall + 0
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