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Home> Hot Product Listed A   > AKOS004998682
771527-96-9 structure

AKOS004998682

Iupac Name:3-amino-3-(1-methylpyrrol-2-yl)propanamide
CAS No.:771527-96-9
Molecular Weight:167.212
Molecular Formula:C17H19NO (isomer)
Names and Identifiers
Synonyms

2-((7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-n-(2-ethylphenyl)acetamide 2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-n-(2-ethylphenyl)acetamide F3222-1424 MCULE-4088754352 MOLPORT-010-743-837 ZINC35431989

Inchi
InChI=1S/C8H13N3O/c1-11-4-2-3-7(11)6(9)5-8(10)12/h2-4,6H,5,9H2,1H3,(H2,10,12)
InChkey
WKXORZCWQMIDLL-UHFFFAOYSA-N
Canonical Smiles
CN1C=CC=C1C(CC(=O)N)N
Computational chemical data
  • Molecular Weight:167.212g/mol
  • Molecular Formula:C17H19NO
  • Compound Is Canonicalized:True
  • Exact Mass:167.106
  • Monoisotopic Mass:167.106
  • Complexity:172
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:74A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQAAAACCjBlgQ+gJNMEACo ATV3VACCgCAxAiAI2KE4ZJgIYPrA0ZGUAAhgkADIyAcciACAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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