6H-Purine-6-selone,1,9-dihydro- 6-λ1-selanyl-7H-purine 5270-30-4
Identification and Related Records
【Name】
6H-Purine-6-selone,1,9-dihydro-
【Iupac name】
6-λ1-selanyl-7H-purine
【CAS Registry number】
5270-30-4
【Synonyms】
6H-Purine-6-selone,1,7-dihydro- (9CI)
Purine-6-selenol (6CI,7CI,8CI)
1H-Purine, 6-seleno-
6-Selenopurine
NSC 37629
Selenopurine
【EINECS(EC#)】
226-088-2
【Molecular Formula】
C5H4 N4 Se (Products with the same molecular formula)
【Molecular Weight】
199.07
【Inchi】
InChI=1/C5H3N4Se/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H,6,7,8,9)
【Canonical SMILES】
C1=NC2=C(N1)C(=NC=N2)[Se]
【MOL File】
5270-30-4.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Storage temp】
−20°C
【Computed Properties】
Molecular Weight:198.06412 [g/mol]
Molecular Formula:C5H3N4Se
H-Bond Donor:1
H-Bond Acceptor:0
Rotatable Bond Count:0
Tautomer Count:8
Exact Mass:198.952293
MonoIsotopic Mass:198.952293
Topological Polar Surface Area:54.5
Heavy Atom Count:10
Formal Charge:0
Complexity:131
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
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