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Home> Encyclopedia > Hot Product Listed 6   > 6H-Thiopyrano[3,2-d]pyrimidine
1185319-62-3 structure

6H-Thiopyrano[3,2-d]pyrimidine

Iupac Name:1-(5-nitropyridin-2-yl)piperazine;hydrochloride
CAS No.:1185319-62-3
Molecular Weight:244.679
Molecular Formula:C5H4N4O4 (isomer)
Names and Identifiers
Synonyms

6h-thiopyrano[3,2-d]pyrimidine (8ci) AKOS030559128 DTXSID70709654 KB-248821 SCHEMBL218995 ZINC95935981

Inchi
InChI=1S/C9H12N4O2.ClH/c14-13(15)8-1-2-9(11-7-8)12-5-3-10-4-6-12;/h1-2,7,10H,3-6H2;1H
InChkey
GHRHEABPBGNCQL-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1)C2=NC=C(C=C2)[N+](=O)[O-].Cl
Computational chemical data
  • Molecular Weight:244.679g/mol
  • Molecular Formula:C5H4N4O4
  • Compound Is Canonicalized:True
  • Exact Mass:244.073
  • Monoisotopic Mass:244.073
  • Complexity:225
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:74A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzsAAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHAAUAAAACAjBEgQ98JPYUACh ADZnZwCCgCkxEiAp2KA4dJqIYOLAmZGUIAhokILIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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