Cas no 863003-44-5 (2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide)

2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide structure
863003-44-5 structure
Product Name:2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CAS No:863003-44-5
MF:C20H18N6O4S
MW:438.459722042084
CID:6437327
PubChem ID:16195666
Update Time:2024-01-06

2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide Chemical and Physical Properties

Names and Identifiers

    • 2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
    • HMS2238C22
    • 2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
    • AKOS024592881
    • 2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
    • 863003-44-5
    • HMS3366E17
    • F0654-0858
    • CHEMBL1701127
    • SR-01000008011
    • SR-01000008011-1
    • SMR000320011
    • MLS000420165
    • Inchi: 1S/C20H18N6O4S/c1-11-9-13(24-30-11)21-14(27)10-31-18-15-17(25(2)20(29)26(3)19(15)28)22-16(23-18)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,21,24,27)
    • InChI Key: XINLDHKLNNMJEL-UHFFFAOYSA-N
    • SMILES: S(CC(NC1C=C(C)ON=1)=O)C1=C2C(N(C)C(N(C)C2=NC(C2C=CC=CC=2)=N1)=O)=O

Computed Properties

  • Exact Mass: 438.11102425g/mol
  • Monoisotopic Mass: 438.11102425g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 705
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 147?2

2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide Pricemore >>

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2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-1,3diazino4,5-dpyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide Related Literature

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