7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione

HCID 738682

Basic information

Standard SMILES
C=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
InChIKey
GURIFJBXOUVHNC-UHFFFAOYSA-N
Molecular formula
C10H11ClN4O2
Average molar mass
254.67 g/mol
Monoisotopic mass
254.0570533

Names & identifiers

Preferred name
7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione
IUPAC
8-chloro-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione

Names & synonyms

Oprea1_574494Oprea1_8234427-allyl-8-chlorotheophyllineSCHEMBL5718940GURIFJBXOUVHNC-UHFFFAOYSA-NSTK804421AKOS000621126SR-01000461909SR-01000461909-17-allyl-8-chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione8-chloro-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Database identifiers

PubChem CID
738682

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
58.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

6 records

Compound notes

Loading…