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Home> Encyclopedia > Hot Product Listed R   > RXHRUCDNIPALRC-UHFFFAOYSA-N
959615-76-0 structure

RXHRUCDNIPALRC-UHFFFAOYSA-N

Iupac Name:4-(1,3-dioxolan-2-ylmethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one
CAS No.:959615-76-0
Molecular Weight:263.253
Molecular Formula:C12H13N3O4 (isomer)
Names and Identifiers
Synonyms

4-((1,3-dioxolan-2-yl)methyl)-6-methoxypyrido[2,3-b]pyrazin-3(4h)-one 4-((1,3-dioxolan-2-yl)methyl)-6-methoxypyrido[3,2-b]pyrazin-3(4h)-one 4-(1,3-dioxolan-2-ylmethyl)-6-methoxypyrido (2,3-b)pyrazin-3(4h)-one 4-(1,3-dioxolan-2-ylmethyl)-6-methoxypyrido(2,3-b)pyrazin-3(4h)-one AK474614 AKOS027423132 KB-268816 SCHEMBL4139913 ZINC169126755

Inchi
InChI=1S/C12H13N3O4/c1-17-9-3-2-8-12(14-9)15(10(16)6-13-8)7-11-18-4-5-19-11/h2-3,6,11H,4-5,7H2,1H3
InChkey
RXHRUCDNIPALRC-UHFFFAOYSA-N
Canonical Smiles
COC1=NC2=C(C=C1)N=CC(=O)N2CC3OCCO3
Computational chemical data
  • Molecular Weight:263.253g/mol
  • Molecular Formula:C12H13N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:263.091
  • Monoisotopic Mass:263.091
  • Complexity:370
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:73.2A^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:1
  • CACTVS Substructure Key Fingerprint: AAADccBzOAAAAAAAAAAAAAAAAAAAASAAAAAsQAAAAAAAAACBgAAAHgAAAAAACAjxkgcz/JMIFACo ADdzdACCiCkhMiAJmCA+fJifZuLEuJu3MChsxxPe6CawEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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