CHEBI:92035 - 2-(4-morpholinyl)-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-morpholinyl)-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
ChEBI ID CHEBI:92035
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C21H19N9O3S
Net Charge 0
Average Mass 477.501
Monoisotopic Mass 477.13316
InChI InChI=1S/C21H19N9O3S/c31-30(32)13-1-2-15-16(9-13)25-17(24-15)10-22-19-18-20(29(12-23-18)14-3-8-34-11-14)27-21(26-19)28-4-6-33-7-5-28/h1-3,8-9,11-12H,4-7,10H2,(H,24,25)(H,22,26,27)
InChIKey XUHNVGCKTKHKED-UHFFFAOYSA-N
SMILES C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])N=CN3C6=CSC=C6
ChEBI Ontology
Outgoing 2-(4-morpholinyl)-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine (CHEBI:92035) is a thiopurine (CHEBI:35666)
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