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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,1,9-dihydro-8-[[(4-nitrophenyl)methyl]thio]-
1052411-15-0 structure

6H-Purin-6-one,1,9-dihydro-8-[[(4-nitrophenyl)methyl]thio]-

Iupac Name:2-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)ethanamine;hydrochloride
CAS No.:1052411-15-0
Molecular Weight:308.206
Molecular Formula:C20H30O7 (isomer)
Names and Identifiers
Synonyms

8-[(4-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one ac1nr7yk DTXSID60412180 Hypoxanthine,8-[(p-nitrobenzyl)thio]- (8CI) NSC 211341 nsc211341 nsc-211341 ZINC17039871

Inchi
InChI=1S/C15H14ClN3.ClH/c16-11-1-2-14-13(9-11)12(3-6-17)15(19-14)10-4-7-18-8-5-10;/h1-2,4-5,7-9,19H,3,6,17H2;1H
InChkey
NVVFFSOIOFTLQQ-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1Cl)C(=C(N2)C3=CC=NC=C3)CCN.Cl
Properties
Density
1.58 g/cm3
Boiling Point
554°Cat760mmHg
Flash Point
332.3°C
Computational chemical data
  • Molecular Weight:308.206g/mol
  • Molecular Formula:C20H30O7
  • Compound Is Canonicalized:True
  • Exact Mass:307.064
  • Monoisotopic Mass:307.064
  • Complexity:293
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:20
  • 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
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