8-chloro-3-(2-cyclopropylethyl)-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione

HCID 59299541
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCn1c(Cl)nc2c1c(=O)[nH]c(=O)n2CCC1CC1
InChIKey
WFWISOPTLKDMKR-UHFFFAOYSA-N
Molecular formula
C13H15ClN4O2
Average molar mass
294.74 g/mol

Names & identifiers

Preferred name
8-chloro-3-(2-cyclopropylethyl)-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione
IUPAC
8-chloro-3-(2-cyclopropylethyl)-7-prop-2-enylpurine-2,6-dione

Names & synonyms

SCHEMBL3179415WFWISOPTLKDMKR-UHFFFAOYSA-N8-chloro-3-(2-cyclopropylethyl)-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Database identifiers

PubChem CID
59299541

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20

Related reactions

7 records
New reaction record

Compound notes

Loading…