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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 6-[(1h-benzimidazol-2-ylthio)methyl]-1-phenyl-2h-pyrazolo[3,4-d]pyrimidin-4-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 6-[(1h-benzimidazol-2-ylthio)methyl]-1-phenyl-2h-pyrazolo[3,4-d]pyrimidin-4-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 6-[(1h-benzimidazol-2-ylthio)methyl]-1-phenyl-2h-pyrazolo[3,4-d]pyrimidin-4-one

Preferred term

6-[(1h-benzimidazol-2-ylthio)methyl]-1-phenyl-2h-pyrazolo[3,4-d]pyrimidin-4-one  

Type

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

Broader concept

charge

  • 0

formula

  • C19H14N6OS

inchi

  • InChI=1S/C19H14N6OS/c26-18-13-10-20-25(12-6-2-1-3-7-12)17(13)23-16(24-18)11-27-19-21-14-8-4-5-9-15(14)22-19/h1-10,20H,11H2,(H,21,22)

inchikey

  • QJUOJPRDKISKSH-UHFFFAOYSA-N

mass

  • 374.421

monoisotopicmass

  • 374.09498

smiles

  • C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=CC=CC=C5N4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114420

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