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Home> Hot Product Listed S   > STOCK4S-14761
911636-86-7 structure

STOCK4S-14761

Iupac Name:2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CAS No.:911636-86-7
Molecular Weight:307.624
Molecular Formula:C26H26N2OS (isomer)
Names and Identifiers
Synonyms

2-(4-ethylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine 2-(4-ethylpiperazin-1-yl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine 2-(4-ethylpiperazinyl)-5-nitro-6-piperidylpyrimidine-4-ylamine AC1MMLU5 AKOS001384876 MCULE-4975910275 MOLPORT-000-492-908 ST50138240 STK556887 UPCMLD0ENAT5865455:001 Z244561530 ZINC5031669

Inchi
InChI=1S/C9H7F6N3.ClH/c10-8(11,12)6-4-1-2-16-3-5(4)17-7(18-6)9(13,14)15;/h16H,1-3H2;1H
InChkey
NFEZOYIKZXDOAJ-UHFFFAOYSA-N
Canonical Smiles
C1CNCC2=C1C(=NC(=N2)C(F)(F)F)C(F)(F)F.Cl
Computational chemical data
  • Molecular Weight:307.624g/mol
  • Molecular Formula:C26H26N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:307.031
  • Monoisotopic Mass:307.031
  • Complexity:302
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:37.8A^2
  • Heavy Atom Count:19
  • 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: AAADccBzAcAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAACxgAAAHQAQAAAADAjBHxQBkJbIEACg AwZgZACAgCkhAKABGKA4RBiAaAJAyNEUBAhoEALISCIQAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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