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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > thiopurine > 2-(4-morpholinyl)-n-[(6-nitro-1h-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-n-[(6-nitro-1h-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-n-[(6-nitro-1h-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-n-[(6-nitro-1h-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-n-[(6-nitro-1h-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

Preferred term

2-(4-morpholinyl)-n-[(6-nitro-1h-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H19N9O3S

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

mass

  • 477.501

monoisotopicmass

  • 477.13316

smiles

  • C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])N=CN3C6=CSC=C6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92035

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