8-Iodo-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

HCID 223530

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Basic information

CAS: 5415-41-8
Standard SMILES: Cn1c(=O)c2c(nc(I)n2C)n(C)c1=O
InChIKey: UPFZIZZHZYOADG-UHFFFAOYSA-N
Molecular formula: C8H9IN4O2
Average molar mass: 320.09 g/mol
Monoisotopic mass: 319.97702

Names & identifiers

Preferred name: 8-Iodo-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
IUPAC: 8-iodo-1,3,7-trimethylpurine-2,6-dione

Names & synonyms

5415-41-88-iodo-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione8-iodo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-iodo-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC11256DTXSID10969058NSC-11256

Database identifiers

CAS: 5415-41-8
PubChem CID: 223530
DTXSID: DTXSID10969058

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 324

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