CHEBI:93606 - N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine

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ChEBI Name N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine
ChEBI ID CHEBI:93606
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000085552494
Download Molfile XML SDF
Formula C21H19ClN8OS
Net Charge 0
Average Mass 466.948
Monoisotopic Mass 466.10911
InChI InChI=1S/C21H19ClN8OS/c22-13-1-2-15-16(9-13)26-17(25-15)10-23-19-18-20(30(12-24-18)14-3-8-32-11-14)28-21(27-19)29-4-6-31-7-5-29/h1-3,8-9,11-12H,4-7,10H2,(H,25,26)(H,23,27,28)
InChIKey KACBDTJKYGZZRI-UHFFFAOYSA-N
SMILES C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=C(N4)C=C(C=C5)Cl)N=CN3C6=CSC=C6
ChEBI Ontology
Outgoing N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine (CHEBI:93606) is a thiopurine (CHEBI:35666)
Manual Xref Database
LSM-4065 LINCS
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