7-Allyl-8-chloro-1H-purine-2,6(3H,7H)-dione

HCID 59299532

Basic information

Standard SMILES
C=CCn1c(Cl)nc2[nH]c(=O)[nH]c(=O)c21
InChIKey
KOZZYIHVPUEIPB-UHFFFAOYSA-N
Molecular formula
C8H7ClN4O2
Average molar mass
226.62 g/mol
Monoisotopic mass
226.0257532

Names & identifiers

Preferred name
7-Allyl-8-chloro-1H-purine-2,6(3H,7H)-dione
IUPAC
8-chloro-7-prop-2-enyl-3H-purine-2,6-dione

Names & synonyms

7-Allyl-8-chloro-1H-purine-2,6(3H,7H)-dione862893-33-28-chloro-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione8-chloro-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSCHEMBL835443KOZZYIHVPUEIPB-UHFFFAOYSA-NDB-1975907-Allyl-8-chloro-3,7-dihydro-1H-purine-2,6-dione

Database identifiers

PubChem CID
59299532

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
76 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

45 records

Compound notes

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