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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-

Cn1cnc2c1c(=O)[nH]c(=O)n2C Request for Quotation
Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
CAS Number: 519-41-5
Product Number: AG00E08O(AGN-PC-00U1H6)
Synonyms:
MDL No:
Molecular Formula: C7H8N4O2
Molecular Weight: 180.16402

Identification/Properties

Computed Properties
Molecular Weight:
318.289g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
318.096g/mol
Monoisotopic Mass:
318.096g/mol
Topological Polar Surface Area:
125A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
400
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


THEOBROMINE SALICYLATE, a derivative of theobromine and salicylic acid, is commonly employed in chemical synthesis as a precursor for the production of various pharmaceuticals and organic compounds. Its versatile chemical properties make it a valuable intermediate in the synthesis of medications for pain relief, anti-inflammatory purposes, and other therapeutic applications. In addition, THEOBROMINE SALICYLATE serves as a building block in the creation of complex molecular structures in organic chemistry research and drug development. Its unique reactivity and compatibility with other molecules offer opportunities for creating novel compounds with potentially enhanced properties for targeted applications.