Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6661941
902576-09-4 structure

T6661941

Iupac Name:2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
CAS No.:902576-09-4
Molecular Weight:193.224
Molecular Formula:C17H18N4O2S (isomer)
Names and Identifiers
Synonyms

2-[(5-bromothiophen-2-yl)formamido]-n-[(oxolan-2-yl)methyl]propanamide MCULE-1744349665 MOLPORT-009-074-372 Z605320426

Inchi
InChI=1S/C8H7N3OS/c1-13-8-10-4-5-6(11-8)2-3-9-7(5)12/h2-4H,1H3,(H,9,12)
InChkey
XOFAOHNADNLNSI-UHFFFAOYSA-N
Canonical Smiles
CSC1=NC=C2C(=N1)C=CNC2=O
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:193.224g/mol
  • Molecular Formula:C17H18N4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:193.031
  • Monoisotopic Mass:193.031
  • Complexity:244
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.2A^2
  • Heavy Atom Count:13
  • 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: AAADcYBzIABAAAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAACBgAAAHgQQAAAADAjBngSvkJbIEAio AzV3dACC0Cl1AqAJ2KE4RFiIKJhAyMAEBYhIggJAweAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
<